1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide

C16H16ClN5O — CID 53321553

IUPAC1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cn(CCc3ccccc3Cl)cn2)n1
InChIInChI=1S/C16H16ClN5O/c1-21-8-7-15(20-21)19-16(23)14-10-22(11-18-14)9-6-12-4-2-3-5-13(12)17/h2-5,7-8,10-11H,6,9H2,1H3,(H,19,20,23)
InChIKeyDHTQTCDGGVOYOY-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.77
Rot. Bonds5

About 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide

1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide (PubChem CID 53321553) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide
PubChem CID53321553
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cn(CCc3ccccc3Cl)cn2)n1
InChIInChI=1S/C16H16ClN5O/c1-21-8-7-15(20-21)19-16(23)14-10-22(11-18-14)9-6-12-4-2-3-5-13(12)17/h2-5,7-8,10-11H,6,9H2,1H3,(H,19,20,23)
InChIKeyDHTQTCDGGVOYOY-UHFFFAOYSA-N
XLogP2.77
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-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

6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(1,3-dimethyl-1H-pyrazol-5-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899752
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(1-ethyl-1H-pyrazol-5-yl)-7-methylimidazo(1,2-a)pyrimidine-2-carboxamide
CID 46899938
1-(4-((1H-pyrazol-1-yl)methyl)benzyl)-N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)-1H-imidazole-4-carboxamide
CID 56836188
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 5-amino-N-[3-(2,5-dichlorophenyl)-1-methyl-1H-pyrazol-4-yl]-
CID 58063117
5-amino-N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063225
N-[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496595
7-[(3-Chlorophenyl)methyl]-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 129116708
4-N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 87381292
8-(1-(2-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
CID 11495611
8-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 11532717
8-(1-(3-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
CID 11575498
8-(1-(4-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
CID 11582697

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide (CID 53321553) is 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide is Cn1ccc(NC(=O)c2cn(CCc3ccccc3Cl)cn2)n1.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
The InChIKey is DHTQTCDGGVOYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-21-8-7-15(20-21)19-16(23)14-10-22(11-18-14)9-6-12-4-2-3-5-13(12)17/h2-5,7-8,10-11H,6,9H2,1H3,(H,19,20,23).
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53321553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).