N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H16ClN7O — CID 58063487

IUPACN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1ccn2ncc(C(=O)Nc3cc(C)nn3-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C18H16ClN7O/c1-11-8-16(26(24-11)13-5-3-4-12(19)9-13)23-18(27)14-10-21-25-7-6-15(20-2)22-17(14)25/h3-10H,1-2H3,(H,20,22)(H,23,27)
InChIKeyGRKVHVFMHBOEFZ-UHFFFAOYSA-N
MW381.83 g/mol
LogP3.17
Rot. Bonds4

About N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063487) has the molecular formula C18H16ClN7O and a molecular weight of 381.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063487
Molecular FormulaC18H16ClN7O
Molecular Weight381.83 g/mol
Exact Mass381.11
IUPAC NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1ccn2ncc(C(=O)Nc3cc(C)nn3-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C18H16ClN7O/c1-11-8-16(26(24-11)13-5-3-4-12(19)9-13)23-18(27)14-10-21-25-7-6-15(20-2)22-17(14)25/h3-10H,1-2H3,(H,20,22)(H,23,27)
InChIKeyGRKVHVFMHBOEFZ-UHFFFAOYSA-N
XLogP3.17
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.83
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063487) is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1ccn2ncc(C(=O)Nc3cc(C)nn3-c3cccc(Cl)c3)c2n1.
What is the InChIKey of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GRKVHVFMHBOEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7O/c1-11-8-16(26(24-11)13-5-3-4-12(19)9-13)23-18(27)14-10-21-25-7-6-15(20-2)22-17(14)25/h3-10H,1-2H3,(H,20,22)(H,23,27).
What are the key properties of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 381.83 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).