6-chloro-5-methyl-N-(4-methylcyclohexyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H19ClN4O2 — CID 3390609

IUPAC6-chloro-5-methyl-N-(4-methylcyclohexyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NC3CCC(C)CC3)c[nH]n2c(=O)c1Cl
InChIInChI=1S/C15H19ClN4O2/c1-8-3-5-10(6-4-8)19-14(21)11-7-17-20-13(11)18-9(2)12(16)15(20)22/h7-8,10,17H,3-6H2,1-2H3,(H,19,21)
InChIKeyIIAXAWFTSNESST-UHFFFAOYSA-N
MW322.80 g/mol
LogP2.29
Rot. Bonds2

About 6-chloro-5-methyl-N-(4-methylcyclohexyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-chloro-5-methyl-N-(4-methylcyclohexyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3390609) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(4-methylcyclohexyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(4-methylcyclohexyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3390609
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name6-chloro-5-methyl-N-(4-methylcyclohexyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NC3CCC(C)CC3)c[nH]n2c(=O)c1Cl
InChIInChI=1S/C15H19ClN4O2/c1-8-3-5-10(6-4-8)19-14(21)11-7-17-20-13(11)18-9(2)12(16)15(20)22/h7-8,10,17H,3-6H2,1-2H3,(H,19,21)
InChIKeyIIAXAWFTSNESST-UHFFFAOYSA-N
XLogP2.29
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(4-methylcyclohexyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-chloro-5-methyl-N-(4-methylcyclohexyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3390609) is 6-chloro-5-methyl-N-(4-methylcyclohexyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-chloro-5-methyl-N-(4-methylcyclohexyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-chloro-5-methyl-N-(4-methylcyclohexyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NC3CCC(C)CC3)c[nH]n2c(=O)c1Cl.
What is the InChIKey of 6-chloro-5-methyl-N-(4-methylcyclohexyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IIAXAWFTSNESST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-8-3-5-10(6-4-8)19-14(21)11-7-17-20-13(11)18-9(2)12(16)15(20)22/h7-8,10,17H,3-6H2,1-2H3,(H,19,21).
What are the key properties of 6-chloro-5-methyl-N-(4-methylcyclohexyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-chloro-5-methyl-N-(4-methylcyclohexyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 322.80 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(4-methylcyclohexyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3390609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).