N-cyclopentyl-5-methyl-1-(4-oxo-3H-quinazolin-2-yl)pyrazole-4-carboxamide

C18H19N5O2 — CID 137049239

IUPACN-cyclopentyl-5-methyl-1-(4-oxo-3H-quinazolin-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCC2)cnn1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H19N5O2/c1-11-14(17(25)20-12-6-2-3-7-12)10-19-23(11)18-21-15-9-5-4-8-13(15)16(24)22-18/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyUPCQSXZPXDEKNQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.09
Rot. Bonds3

About N-cyclopentyl-5-methyl-1-(4-oxo-3H-quinazolin-2-yl)pyrazole-4-carboxamide

N-cyclopentyl-5-methyl-1-(4-oxo-3H-quinazolin-2-yl)pyrazole-4-carboxamide (PubChem CID 137049239) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-cyclopentyl-5-methyl-1-(4-oxo-3H-quinazolin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-methyl-1-(4-oxo-3H-quinazolin-2-yl)pyrazole-4-carboxamide
PubChem CID137049239
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-cyclopentyl-5-methyl-1-(4-oxo-3H-quinazolin-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCC2)cnn1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H19N5O2/c1-11-14(17(25)20-12-6-2-3-7-12)10-19-23(11)18-21-15-9-5-4-8-13(15)16(24)22-18/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyUPCQSXZPXDEKNQ-UHFFFAOYSA-N
XLogP2.09
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-methyl-1-(4-oxo-3H-quinazolin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-5-methyl-1-(4-oxo-3H-quinazolin-2-yl)pyrazole-4-carboxamide (CID 137049239) is N-cyclopentyl-5-methyl-1-(4-oxo-3H-quinazolin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-methyl-1-(4-oxo-3H-quinazolin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-5-methyl-1-(4-oxo-3H-quinazolin-2-yl)pyrazole-4-carboxamide is Cc1c(C(=O)NC2CCCC2)cnn1-c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-cyclopentyl-5-methyl-1-(4-oxo-3H-quinazolin-2-yl)pyrazole-4-carboxamide?
The InChIKey is UPCQSXZPXDEKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-14(17(25)20-12-6-2-3-7-12)10-19-23(11)18-21-15-9-5-4-8-13(15)16(24)22-18/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,20,25)(H,21,22,24).
What are the key properties of N-cyclopentyl-5-methyl-1-(4-oxo-3H-quinazolin-2-yl)pyrazole-4-carboxamide?
N-cyclopentyl-5-methyl-1-(4-oxo-3H-quinazolin-2-yl)pyrazole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methyl-1-(4-oxo-3H-quinazolin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 137049239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).