N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide

C8H12ClN3O — CID 17167946

IUPACN-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCCCl
InChIInChI=1S/C8H12ClN3O/c1-12-7(3-6-11-12)8(13)10-5-2-4-9/h3,6H,2,4-5H2,1H3,(H,10,13)
InChIKeyVWRFNBVGTPOJCV-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.78
Rot. Bonds4

About N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide

N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide (PubChem CID 17167946) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
PubChem CID17167946
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC NameN-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCCCl
InChIInChI=1S/C8H12ClN3O/c1-12-7(3-6-11-12)8(13)10-5-2-4-9/h3,6H,2,4-5H2,1H3,(H,10,13)
InChIKeyVWRFNBVGTPOJCV-UHFFFAOYSA-N
XLogP0.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chloropropyl)-2-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

Related Compounds

N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide
CID 106130377
N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide
CID 61344724
N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide
CID 103862125
2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
CID 112528913
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide
CID 71688492
N-(3-chloropropyl)-3-methylimidazole-4-carboxamide
CID 103511152
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 95127238
N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 113228891
(2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 107833827

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide (CID 17167946) is N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCCCCl.
What is the InChIKey of N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is VWRFNBVGTPOJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-12-7(3-6-11-12)8(13)10-5-2-4-9/h3,6H,2,4-5H2,1H3,(H,10,13).
What are the key properties of N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide?
N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 201.66 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 17167946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).