N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H20N6O — CID 19288548

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2ccnc3c(C(=O)NCc4cn(C)nc4C)cnn23)cc1
InChIInChI=1S/C20H20N6O/c1-13-4-6-15(7-5-13)18-8-9-21-19-17(11-23-26(18)19)20(27)22-10-16-12-25(3)24-14(16)2/h4-9,11-12H,10H2,1-3H3,(H,22,27)
InChIKeyOQJRPANFZXOYHX-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.68
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19288548) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19288548
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2ccnc3c(C(=O)NCc4cn(C)nc4C)cnn23)cc1
InChIInChI=1S/C20H20N6O/c1-13-4-6-15(7-5-13)18-8-9-21-19-17(11-23-26(18)19)20(27)22-10-16-12-25(3)24-14(16)2/h4-9,11-12H,10H2,1-3H3,(H,22,27)
InChIKeyOQJRPANFZXOYHX-UHFFFAOYSA-N
XLogP2.68
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4862897
N-(1,3-dimethylpyrazol-4-yl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19346262
7-(4-methylphenyl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440444
methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate
CID 19440492
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19329969
7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19327901
N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19336929
7-(4-methylphenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440385
7-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440419
N-[4-(diethylamino)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440362
N-[1-(methoxymethyl)pyrazol-4-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19411087
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19288548) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2ccnc3c(C(=O)NCc4cn(C)nc4C)cnn23)cc1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OQJRPANFZXOYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13-4-6-15(7-5-13)18-8-9-21-19-17(11-23-26(18)19)20(27)22-10-16-12-25(3)24-14(16)2/h4-9,11-12H,10H2,1-3H3,(H,22,27).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19288548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).