N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-4-yl)aniline;5,7-dimethyl-N-[4-(2H-pyrrol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(3H-pyrrol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-(4-thiophen-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-2-yl)aniline

C110H97N29O6S2 — CID 165031322

IUPACN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-4-yl)aniline;5,7-dimethyl-N-[4-(2H-pyrrol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(3H-pyrrol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-(4-thiophen-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-2-yl)aniline
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccc(-c4cccs4)cc3)c2n1.Cc1cc(C)n2ncc(C(=O)Nc3ccc(-c4cscn4)cc3)c2n1.Cc1cc(C)n2ncc(C(=O)Nc3ccc(C4=NC=CC4)cc3)c2n1.Cc1cc(C)n2ncc(C(=O)Nc3ccc(C4=NCC=C4)cc3)c2n1.Cc1cc(C)n2ncc(CNc3ccc(-c4cocn4)cc3)c2n1.Cc1ccn2ncc(CNc3ccc(-c4ncco4)cc3)c2n1
InChIInChI=1S/2C19H17N5O.C19H16N4OS.C18H15N5OS.C18H17N5O.C17H15N5O/c2*1-12-10-13(2)24-18(22-12)16(11-21-24)19(25)23-15-7-5-14(6-8-15)17-4-3-9-20-17;1-12-10-13(2)23-18(21-12)16(11-20-23)19(24)22-15-7-5-14(6-8-15)17-4-3-9-25-17;1-11-7-12(2)23-17(21-11)15(8-20-23)18(24)22-14-5-3-13(4-6-14)16-9-25-10-19-16;1-12-7-13(2)23-18(22-12)15(9-21-23)8-19-16-5-3-14(4-6-16)17-10-24-11-20-17;1-12-6-8-22-16(21-12)14(11-20-22)10-19-15-4-2-13(3-5-15)17-18-7-9-23-17/h3,5-11H,4H2,1-2H3,(H,23,25);3-8,10-11H,9H2,1-2H3,(H,23,25);3-11H,1-2H3,(H,22,24);3-10H,1-2H3,(H,22,24);3-7,9-11,19H,8H2,1-2H3;2-9,11,19H,10H2,1H3
InChIKeyMRUVVQQALBLSQI-UHFFFAOYSA-N
MW1985.32 g/mol
LogP21.23
Rot. Bonds20

About N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-4-yl)aniline;5,7-dimethyl-N-[4-(2H-pyrrol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(3H-pyrrol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-(4-thiophen-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-2-yl)aniline

N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-4-yl)aniline;5,7-dimethyl-N-[4-(2H-pyrrol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(3H-pyrrol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-(4-thiophen-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-2-yl)aniline (PubChem CID 165031322) has the molecular formula C110H97N29O6S2 and a molecular weight of 1985.32 g/mol. Its IUPAC name is N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-4-yl)aniline;5,7-dimethyl-N-[4-(2H-pyrrol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(3H-pyrrol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-(4-thiophen-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-4-yl)aniline;5,7-dimethyl-N-[4-(2H-pyrrol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(3H-pyrrol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-(4-thiophen-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-2-yl)aniline
PubChem CID165031322
Molecular FormulaC110H97N29O6S2
Molecular Weight1985.32 g/mol
Exact Mass1983.76
IUPAC NameN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-4-yl)aniline;5,7-dimethyl-N-[4-(2H-pyrrol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(3H-pyrrol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-(4-thiophen-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-2-yl)aniline
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccc(-c4cccs4)cc3)c2n1.Cc1cc(C)n2ncc(C(=O)Nc3ccc(-c4cscn4)cc3)c2n1.Cc1cc(C)n2ncc(C(=O)Nc3ccc(C4=NC=CC4)cc3)c2n1.Cc1cc(C)n2ncc(C(=O)Nc3ccc(C4=NCC=C4)cc3)c2n1.Cc1cc(C)n2ncc(CNc3ccc(-c4cocn4)cc3)c2n1.Cc1ccn2ncc(CNc3ccc(-c4ncco4)cc3)c2n1
InChIInChI=1S/2C19H17N5O.C19H16N4OS.C18H15N5OS.C18H17N5O.C17H15N5O/c2*1-12-10-13(2)24-18(22-12)16(11-21-24)19(25)23-15-7-5-14(6-8-15)17-4-3-9-20-17;1-12-10-13(2)23-18(21-12)16(11-20-23)19(24)22-15-7-5-14(6-8-15)17-4-3-9-25-17;1-11-7-12(2)23-17(21-11)15(8-20-23)18(24)22-14-5-3-13(4-6-14)16-9-25-10-19-16;1-12-7-13(2)23-18(22-12)15(9-21-23)8-19-16-5-3-14(4-6-16)17-10-24-11-20-17;1-12-6-8-22-16(21-12)14(11-20-22)10-19-15-4-2-13(3-5-15)17-18-7-9-23-17/h3,5-11H,4H2,1-2H3,(H,23,25);3-8,10-11H,9H2,1-2H3,(H,23,25);3-11H,1-2H3,(H,22,24);3-10H,1-2H3,(H,22,24);3-7,9-11,19H,8H2,1-2H3;2-9,11,19H,10H2,1H3
InChIKeyMRUVVQQALBLSQI-UHFFFAOYSA-N
XLogP21.23
TPSA411.27 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001985.32
LogP ≤ 521.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-4-yl)aniline;5,7-dimethyl-N-[4-(2H-pyrrol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(3H-pyrrol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-(4-thiophen-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-2-yl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-4-yl)aniline;5,7-dimethyl-N-[4-(2H-pyrrol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(3H-pyrrol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-(4-thiophen-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-2-yl)aniline?
The IUPAC name of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-4-yl)aniline;5,7-dimethyl-N-[4-(2H-pyrrol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(3H-pyrrol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-(4-thiophen-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-2-yl)aniline (CID 165031322) is N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-4-yl)aniline;5,7-dimethyl-N-[4-(2H-pyrrol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(3H-pyrrol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-(4-thiophen-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-2-yl)aniline.
What is the SMILES notation for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-4-yl)aniline;5,7-dimethyl-N-[4-(2H-pyrrol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(3H-pyrrol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-(4-thiophen-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-2-yl)aniline?
The canonical SMILES for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-4-yl)aniline;5,7-dimethyl-N-[4-(2H-pyrrol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(3H-pyrrol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-(4-thiophen-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-2-yl)aniline is Cc1cc(C)n2ncc(C(=O)Nc3ccc(-c4cccs4)cc3)c2n1.Cc1cc(C)n2ncc(C(=O)Nc3ccc(-c4cscn4)cc3)c2n1.Cc1cc(C)n2ncc(C(=O)Nc3ccc(C4=NC=CC4)cc3)c2n1.Cc1cc(C)n2ncc(C(=O)Nc3ccc(C4=NCC=C4)cc3)c2n1.Cc1cc(C)n2ncc(CNc3ccc(-c4cocn4)cc3)c2n1.Cc1ccn2ncc(CNc3ccc(-c4ncco4)cc3)c2n1.
What is the InChIKey of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-4-yl)aniline;5,7-dimethyl-N-[4-(2H-pyrrol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(3H-pyrrol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-(4-thiophen-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-2-yl)aniline?
The InChIKey is MRUVVQQALBLSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17N5O.C19H16N4OS.C18H15N5OS.C18H17N5O.C17H15N5O/c2*1-12-10-13(2)24-18(22-12)16(11-21-24)19(25)23-15-7-5-14(6-8-15)17-4-3-9-20-17;1-12-10-13(2)23-18(21-12)16(11-20-23)19(24)22-15-7-5-14(6-8-15)17-4-3-9-25-17;1-11-7-12(2)23-17(21-11)15(8-20-23)18(24)22-14-5-3-13(4-6-14)16-9-25-10-19-16;1-12-7-13(2)23-18(22-12)15(9-21-23)8-19-16-5-3-14(4-6-16)17-10-24-11-20-17;1-12-6-8-22-16(21-12)14(11-20-22)10-19-15-4-2-13(3-5-15)17-18-7-9-23-17/h3,5-11H,4H2,1-2H3,(H,23,25);3-8,10-11H,9H2,1-2H3,(H,23,25);3-11H,1-2H3,(H,22,24);3-10H,1-2H3,(H,22,24);3-7,9-11,19H,8H2,1-2H3;2-9,11,19H,10H2,1H3.
What are the key properties of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-4-yl)aniline;5,7-dimethyl-N-[4-(2H-pyrrol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(3H-pyrrol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-(4-thiophen-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-2-yl)aniline?
N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-4-yl)aniline;5,7-dimethyl-N-[4-(2H-pyrrol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(3H-pyrrol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-(4-thiophen-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-2-yl)aniline has a molecular weight of 1985.32 g/mol, XLogP of 21.23, 20 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-4-yl)aniline;5,7-dimethyl-N-[4-(2H-pyrrol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(3H-pyrrol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-(4-thiophen-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 165031322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).