3-amino-N-(2,3-dimethylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide

C12H20N4O — CID 64923247

IUPAC3-amino-N-(2,3-dimethylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)NC1CCC(C)C1C
InChIInChI=1S/C12H20N4O/c1-6-4-5-9(7(6)2)14-12(17)10-8(3)15-16-11(10)13/h6-7,9H,4-5H2,1-3H3,(H,14,17)(H3,13,15,16)
InChIKeyBTMRKLMHNJYCOB-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.46
Rot. Bonds2

About 3-amino-N-(2,3-dimethylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide

3-amino-N-(2,3-dimethylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 64923247) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-amino-N-(2,3-dimethylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dimethylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID64923247
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-amino-N-(2,3-dimethylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)NC1CCC(C)C1C
InChIInChI=1S/C12H20N4O/c1-6-4-5-9(7(6)2)14-12(17)10-8(3)15-16-11(10)13/h6-7,9H,4-5H2,1-3H3,(H,14,17)(H3,13,15,16)
InChIKeyBTMRKLMHNJYCOB-UHFFFAOYSA-N
XLogP1.46
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(2,3-dimethylcyclopentyl)-5-methyl-1H-pyrazole-4-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 3-amino-N-(2,3-dimethylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-(2,3-dimethylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 64923247) is 3-amino-N-(2,3-dimethylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-(2,3-dimethylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-(2,3-dimethylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)NC1CCC(C)C1C.
What is the InChIKey of 3-amino-N-(2,3-dimethylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is BTMRKLMHNJYCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-6-4-5-9(7(6)2)14-12(17)10-8(3)15-16-11(10)13/h6-7,9H,4-5H2,1-3H3,(H,14,17)(H3,13,15,16).
What are the key properties of 3-amino-N-(2,3-dimethylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide?
3-amino-N-(2,3-dimethylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dimethylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 64923247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).