5-amino-N-[2-(5-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H16ClN7O — CID 58063103

IUPAC5-amino-N-[2-(5-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3ccc(N)nc23)n(-c2cc(Cl)ccc2C)n1
InChIInChI=1S/C18H16ClN7O/c1-10-3-4-12(19)8-14(10)26-16(7-11(2)24-26)23-18(27)13-9-21-25-6-5-15(20)22-17(13)25/h3-9H,1-2H3,(H2,20,22)(H,23,27)
InChIKeyOHASWADNHFSPSO-UHFFFAOYSA-N
MW381.83 g/mol
LogP3.02
Rot. Bonds3

About 5-amino-N-[2-(5-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-amino-N-[2-(5-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063103) has the molecular formula C18H16ClN7O and a molecular weight of 381.83 g/mol. Its IUPAC name is 5-amino-N-[2-(5-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(5-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063103
Molecular FormulaC18H16ClN7O
Molecular Weight381.83 g/mol
Exact Mass381.11
IUPAC Name5-amino-N-[2-(5-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3ccc(N)nc23)n(-c2cc(Cl)ccc2C)n1
InChIInChI=1S/C18H16ClN7O/c1-10-3-4-12(19)8-14(10)26-16(7-11(2)24-26)23-18(27)13-9-21-25-6-5-15(20)22-17(13)25/h3-9H,1-2H3,(H2,20,22)(H,23,27)
InChIKeyOHASWADNHFSPSO-UHFFFAOYSA-N
XLogP3.02
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.83
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
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N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide
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CID 45284555
2,5-dichloro-N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 41242034
1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide
CID 46412300
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(5-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-amino-N-[2-(5-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063103) is 5-amino-N-[2-(5-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(5-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-amino-N-[2-(5-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(-c2cc(Cl)ccc2C)n1.
What is the InChIKey of 5-amino-N-[2-(5-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OHASWADNHFSPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7O/c1-10-3-4-12(19)8-14(10)26-16(7-11(2)24-26)23-18(27)13-9-21-25-6-5-15(20)22-17(13)25/h3-9H,1-2H3,(H2,20,22)(H,23,27).
What are the key properties of 5-amino-N-[2-(5-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-amino-N-[2-(5-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 381.83 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(5-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).