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

C15H14ClN5O — CID 53324214

IUPAC1-[(3-chlorophenyl)methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cn(Cc3cccc(Cl)c3)cn2)n1
InChIInChI=1S/C15H14ClN5O/c1-20-6-5-14(19-20)18-15(22)13-9-21(10-17-13)8-11-3-2-4-12(16)7-11/h2-7,9-10H,8H2,1H3,(H,18,19,22)
InChIKeyNQRFBLBMZZNQMU-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.57
Rot. Bonds4

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

1-[(3-chlorophenyl)methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide (PubChem CID 53324214) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide
PubChem CID53324214
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cn(Cc3cccc(Cl)c3)cn2)n1
InChIInChI=1S/C15H14ClN5O/c1-20-6-5-14(19-20)18-15(22)13-9-21(10-17-13)8-11-3-2-4-12(16)7-11/h2-7,9-10H,8H2,1H3,(H,18,19,22)
InChIKeyNQRFBLBMZZNQMU-UHFFFAOYSA-N
XLogP2.57
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063121
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
N-[3-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71459077
8-(1-(2-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
CID 11495611
8-(1-(3-chloro-2-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
CID 11503200
8-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 11532717

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide (CID 53324214) is 1-[(3-chlorophenyl)methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide is Cn1ccc(NC(=O)c2cn(Cc3cccc(Cl)c3)cn2)n1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
The InChIKey is NQRFBLBMZZNQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c1-20-6-5-14(19-20)18-15(22)13-9-21(10-17-13)8-11-3-2-4-12(16)7-11/h2-7,9-10H,8H2,1H3,(H,18,19,22).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
1-[(3-chlorophenyl)methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide has a molecular weight of 315.76 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53324214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).