6-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H20ClFN4O2 — CID 22427261

IUPAC6-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NC3CCCC3)c[nH]n2c(=O)c1Cc1ccc(F)cc1Cl
InChIInChI=1S/C20H20ClFN4O2/c1-11-15(8-12-6-7-13(22)9-17(12)21)20(28)26-18(24-11)16(10-23-26)19(27)25-14-4-2-3-5-14/h6-7,9-10,14,23H,2-5,8H2,1H3,(H,25,27)
InChIKeyWYRSALLOTUOXRV-UHFFFAOYSA-N
MW402.86 g/mol
LogP3.39
Rot. Bonds4

About 6-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 22427261) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is 6-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID22427261
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC Name6-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NC3CCCC3)c[nH]n2c(=O)c1Cc1ccc(F)cc1Cl
InChIInChI=1S/C20H20ClFN4O2/c1-11-15(8-12-6-7-13(22)9-17(12)21)20(28)26-18(24-11)16(10-23-26)19(27)25-14-4-2-3-5-14/h6-7,9-10,14,23H,2-5,8H2,1H3,(H,25,27)
InChIKeyWYRSALLOTUOXRV-UHFFFAOYSA-N
XLogP3.39
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 22427261) is 6-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NC3CCCC3)c[nH]n2c(=O)c1Cc1ccc(F)cc1Cl.
What is the InChIKey of 6-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WYRSALLOTUOXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O2/c1-11-15(8-12-6-7-13(22)9-17(12)21)20(28)26-18(24-11)16(10-23-26)19(27)25-14-4-2-3-5-14/h6-7,9-10,14,23H,2-5,8H2,1H3,(H,25,27).
What are the key properties of 6-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 402.86 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 22427261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).