6-chloro-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H15ClN4O2 — CID 126479494

IUPAC6-chloro-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NC3CCCC3)c[nH]n2c(=O)c1Cl
InChIInChI=1S/C13H15ClN4O2/c1-7-10(14)13(20)18-11(16-7)9(6-15-18)12(19)17-8-4-2-3-5-8/h6,8,15H,2-5H2,1H3,(H,17,19)
InChIKeyWULZBSULUGXUAX-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.66
Rot. Bonds2

About 6-chloro-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-chloro-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126479494) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 6-chloro-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126479494
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name6-chloro-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NC3CCCC3)c[nH]n2c(=O)c1Cl
InChIInChI=1S/C13H15ClN4O2/c1-7-10(14)13(20)18-11(16-7)9(6-15-18)12(19)17-8-4-2-3-5-8/h6,8,15H,2-5H2,1H3,(H,17,19)
InChIKeyWULZBSULUGXUAX-UHFFFAOYSA-N
XLogP1.66
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-chloro-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126479494) is 6-chloro-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-chloro-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NC3CCCC3)c[nH]n2c(=O)c1Cl.
What is the InChIKey of 6-chloro-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WULZBSULUGXUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-7-10(14)13(20)18-11(16-7)9(6-15-18)12(19)17-8-4-2-3-5-8/h6,8,15H,2-5H2,1H3,(H,17,19).
What are the key properties of 6-chloro-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-chloro-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126479494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).