N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H19N7O — CID 171315778

IUPACN-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn(C2CCCC2)cc1CNC(=O)c1nc2ncccn2n1
InChIInChI=1S/C16H19N7O/c1-11-12(10-23(20-11)13-5-2-3-6-13)9-18-15(24)14-19-16-17-7-4-8-22(16)21-14/h4,7-8,10,13H,2-3,5-6,9H2,1H3,(H,18,24)
InChIKeyJSWVCNGYCDIJKF-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.67
Rot. Bonds4

About N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 171315778) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID171315778
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC NameN-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn(C2CCCC2)cc1CNC(=O)c1nc2ncccn2n1
InChIInChI=1S/C16H19N7O/c1-11-12(10-23(20-11)13-5-2-3-6-13)9-18-15(24)14-19-16-17-7-4-8-22(16)21-14/h4,7-8,10,13H,2-3,5-6,9H2,1H3,(H,18,24)
InChIKeyJSWVCNGYCDIJKF-UHFFFAOYSA-N
XLogP1.67
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 24870601
N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 23795774
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824615
N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315733
1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one
CID 112712664
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 19583597
N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315776
2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid
CID 112712810
2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol
CID 122166396
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17023663
N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824669
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 122167953

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 171315778) is N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nn(C2CCCC2)cc1CNC(=O)c1nc2ncccn2n1.
What is the InChIKey of N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JSWVCNGYCDIJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-11-12(10-23(20-11)13-5-2-3-6-13)9-18-15(24)14-19-16-17-7-4-8-22(16)21-14/h4,7-8,10,13H,2-3,5-6,9H2,1H3,(H,18,24).
What are the key properties of N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 171315778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).