N-pentyl-5-propyl-1H-pyrazole-3-carboxamide

C12H21N3O — CID 36701505

IUPACN-pentyl-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCCCNC(=O)c1cc(CCC)[nH]n1
InChIInChI=1S/C12H21N3O/c1-3-5-6-8-13-12(16)11-9-10(7-4-2)14-15-11/h9H,3-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyUVLKCDRUWFSPMZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.28
Rot. Bonds7

About N-pentyl-5-propyl-1H-pyrazole-3-carboxamide

N-pentyl-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 36701505) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-pentyl-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-pentyl-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID36701505
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-pentyl-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCCCNC(=O)c1cc(CCC)[nH]n1
InChIInChI=1S/C12H21N3O/c1-3-5-6-8-13-12(16)11-9-10(7-4-2)14-15-11/h9H,3-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyUVLKCDRUWFSPMZ-UHFFFAOYSA-N
XLogP2.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-pentyl-5-propyl-1H-pyrazole-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

Related Compounds

3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 115596365
3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
CID 71346088
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 110484276
N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 74232639
N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 78861290
N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55554809
N-(6-bromohexyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 141446683
N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484320
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 70734717
N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 131936665
N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 87045448
N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55555026

Frequently Asked Questions

What is the IUPAC name of N-pentyl-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-pentyl-5-propyl-1H-pyrazole-3-carboxamide (CID 36701505) is N-pentyl-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-pentyl-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-pentyl-5-propyl-1H-pyrazole-3-carboxamide is CCCCCNC(=O)c1cc(CCC)[nH]n1.
What is the InChIKey of N-pentyl-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is UVLKCDRUWFSPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-6-8-13-12(16)11-9-10(7-4-2)14-15-11/h9H,3-8H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-pentyl-5-propyl-1H-pyrazole-3-carboxamide?
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 36701505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).