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

C17H14ClN7O — CID 58063334

IUPAC5-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3ccc(N)nc23)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H14ClN7O/c1-10-7-15(25(23-10)12-4-2-3-11(18)8-12)22-17(26)13-9-20-24-6-5-14(19)21-16(13)24/h2-9H,1H3,(H2,19,21)(H,22,26)
InChIKeyVCZAFUUQQIEMKI-UHFFFAOYSA-N
MW367.80 g/mol
LogP2.71
Rot. Bonds3

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

5-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063334) has the molecular formula C17H14ClN7O and a molecular weight of 367.80 g/mol. Its IUPAC name is 5-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063334
Molecular FormulaC17H14ClN7O
Molecular Weight367.80 g/mol
Exact Mass367.09
IUPAC Name5-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3ccc(N)nc23)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H14ClN7O/c1-10-7-15(25(23-10)12-4-2-3-11(18)8-12)22-17(26)13-9-20-24-6-5-14(19)21-16(13)24/h2-9H,1H3,(H2,19,21)(H,22,26)
InChIKeyVCZAFUUQQIEMKI-UHFFFAOYSA-N
XLogP2.71
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063334) is 5-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 5-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VCZAFUUQQIEMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7O/c1-10-7-15(25(23-10)12-4-2-3-11(18)8-12)22-17(26)13-9-20-24-6-5-14(19)21-16(13)24/h2-9H,1H3,(H2,19,21)(H,22,26).
What are the key properties of 5-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 367.80 g/mol, XLogP of 2.71, 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-(3-chlorophenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).