4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide

C8H12ClN3O2 — CID 19479455

IUPAC4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide
SMILESCOCCCNC(=O)c1[nH]ncc1Cl
InChIInChI=1S/C8H12ClN3O2/c1-14-4-2-3-10-8(13)7-6(9)5-11-12-7/h5H,2-4H2,1H3,(H,10,13)(H,11,12)
InChIKeyUJIZUMDSZHYZLX-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.83
Rot. Bonds5

About 4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide

4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide (PubChem CID 19479455) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide
PubChem CID19479455
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide
SMILESCOCCCNC(=O)c1[nH]ncc1Cl
InChIInChI=1S/C8H12ClN3O2/c1-14-4-2-3-10-8(13)7-6(9)5-11-12-7/h5H,2-4H2,1H3,(H,10,13)(H,11,12)
InChIKeyUJIZUMDSZHYZLX-UHFFFAOYSA-N
XLogP0.83
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-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

methyl 2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]acetate
CID 19479358
4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19479469
N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 19295823
4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide
CID 81225395
N-(3-methoxypropyl)-1H-imidazole-5-carboxamide
CID 110684258
4-chloro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 19574664
N-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide
CID 103824779
4-bromo-N-hexyl-1H-pyrazole-5-carboxamide
CID 19511210
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
CID 103872832
4-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 19323932
3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide
CID 110764723

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide (CID 19479455) is 4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide is COCCCNC(=O)c1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is UJIZUMDSZHYZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-14-4-2-3-10-8(13)7-6(9)5-11-12-7/h5H,2-4H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide?
4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 217.66 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19479455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).