N-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide

C11H16ClN3O — CID 106127007

IUPACN-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC1CCC(Cl)C1
InChIInChI=1S/C11H16ClN3O/c1-7-10(6-14-15-7)11(16)13-5-8-2-3-9(12)4-8/h6,8-9H,2-5H2,1H3,(H,13,16)(H,14,15)
InChIKeyDXMRWEKTJPGWGO-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.86
Rot. Bonds3

About N-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 106127007) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID106127007
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC1CCC(Cl)C1
InChIInChI=1S/C11H16ClN3O/c1-7-10(6-14-15-7)11(16)13-5-8-2-3-9(12)4-8/h6,8-9H,2-5H2,1H3,(H,13,16)(H,14,15)
InChIKeyDXMRWEKTJPGWGO-UHFFFAOYSA-N
XLogP1.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[(3-chlorocyclopentyl)methyl]-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

Related Compounds

N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 62400684
N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide
CID 106126254
N-[3-(cyclopropylmethoxy)propyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 47078276
N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide
CID 106127191
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide
CID 114146890
N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114315935
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 113264583
N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide
CID 106127010
N-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 106127580
N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
CID 106127378
5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide
CID 126767967

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 106127007) is N-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCC1CCC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is DXMRWEKTJPGWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-10(6-14-15-7)11(16)13-5-8-2-3-9(12)4-8/h6,8-9H,2-5H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 106127007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).