N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide

C12H19N3O — CID 103885164

IUPACN-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCC(C)(C)C2)n1
InChIInChI=1S/C12H19N3O/c1-12(2)6-4-9(8-12)13-11(16)10-5-7-15(3)14-10/h5,7,9H,4,6,8H2,1-3H3,(H,13,16)
InChIKeyHIJNFVPSFHQDRC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.73
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide

N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide (PubChem CID 103885164) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide
PubChem CID103885164
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCC(C)(C)C2)n1
InChIInChI=1S/C12H19N3O/c1-12(2)6-4-9(8-12)13-11(16)10-5-7-15(3)14-10/h5,7,9H,4,6,8H2,1-3H3,(H,13,16)
InChIKeyHIJNFVPSFHQDRC-UHFFFAOYSA-N
XLogP1.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide (CID 103885164) is N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC2CCC(C)(C)C2)n1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is HIJNFVPSFHQDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2)6-4-9(8-12)13-11(16)10-5-7-15(3)14-10/h5,7,9H,4,6,8H2,1-3H3,(H,13,16).
What are the key properties of N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide?
N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103885164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).