4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide

C17H19ClN6O — CID 74250549

IUPAC4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)N(CCCn2ccnc2)Cc2ccncc2)n1
InChIInChI=1S/C17H19ClN6O/c1-22-12-15(18)16(21-22)17(25)24(11-14-3-5-19-6-4-14)9-2-8-23-10-7-20-13-23/h3-7,10,12-13H,2,8-9,11H2,1H3
InChIKeyIPGGJQIEOZBDFN-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.40
Rot. Bonds7

About 4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide

4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide (PubChem CID 74250549) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is 4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
PubChem CID74250549
Molecular FormulaC17H19ClN6O
Molecular Weight358.83 g/mol
Exact Mass358.13
IUPAC Name4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)N(CCCn2ccnc2)Cc2ccncc2)n1
InChIInChI=1S/C17H19ClN6O/c1-22-12-15(18)16(21-22)17(25)24(11-14-3-5-19-6-4-14)9-2-8-23-10-7-20-13-23/h3-7,10,12-13H,2,8-9,11H2,1H3
InChIKeyIPGGJQIEOZBDFN-UHFFFAOYSA-N
XLogP2.40
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)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

N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide
CID 56918772
N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide
CID 46982202
4-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 131919524
5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 74234527
(3S)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 99943887
4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide
CID 46982431
N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide
CID 175659813
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-imidazol-1-ylpropyl)hexanamide
CID 42724139
4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide
CID 90648227
3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 46986157
3-(3-chloro-2-methylphenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]thiourea
CID 4083329
3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42699795

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide (CID 74250549) is 4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)N(CCCn2ccnc2)Cc2ccncc2)n1.
What is the InChIKey of 4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is IPGGJQIEOZBDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O/c1-22-12-15(18)16(21-22)17(25)24(11-14-3-5-19-6-4-14)9-2-8-23-10-7-20-13-23/h3-7,10,12-13H,2,8-9,11H2,1H3.
What are the key properties of 4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 74250549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).