2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-N,5-dimethyl-1H-imidazole-4-carboxamide

C21H19ClN6O — CID 129315646

IUPAC2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-N,5-dimethyl-1H-imidazole-4-carboxamide
SMILESCNC(=O)c1nc(-c2cc(-c3cnn(Cc4ccc(Cl)cc4)c3)ccn2)[nH]c1C
InChIInChI=1S/C21H19ClN6O/c1-13-19(21(29)23-2)27-20(26-13)18-9-15(7-8-24-18)16-10-25-28(12-16)11-14-3-5-17(22)6-4-14/h3-10,12H,11H2,1-2H3,(H,23,29)(H,26,27)
InChIKeyQGCAGEBGLMSCIE-UHFFFAOYSA-N
MW406.88 g/mol
LogP3.70
Rot. Bonds5

About 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-N,5-dimethyl-1H-imidazole-4-carboxamide

2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-N,5-dimethyl-1H-imidazole-4-carboxamide (PubChem CID 129315646) has the molecular formula C21H19ClN6O and a molecular weight of 406.88 g/mol. Its IUPAC name is 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-N,5-dimethyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-N,5-dimethyl-1H-imidazole-4-carboxamide
PubChem CID129315646
Molecular FormulaC21H19ClN6O
Molecular Weight406.88 g/mol
Exact Mass406.13
IUPAC Name2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-N,5-dimethyl-1H-imidazole-4-carboxamide
SMILESCNC(=O)c1nc(-c2cc(-c3cnn(Cc4ccc(Cl)cc4)c3)ccn2)[nH]c1C
InChIInChI=1S/C21H19ClN6O/c1-13-19(21(29)23-2)27-20(26-13)18-9-15(7-8-24-18)16-10-25-28(12-16)11-14-3-5-17(22)6-4-14/h3-10,12H,11H2,1-2H3,(H,23,29)(H,26,27)
InChIKeyQGCAGEBGLMSCIE-UHFFFAOYSA-N
XLogP3.70
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide
CID 129315730
4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid
CID 129315719
4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 75358528
3-(4-chlorophenyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509312
4-[(4-chlorophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 43395704
3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212451
5-[2-(1-benzylpyrazol-4-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide
CID 24959355
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19407730
2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 71061140
N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
CID 62771701
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]propan-1-one
CID 55110396
2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401842

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-N,5-dimethyl-1H-imidazole-4-carboxamide?
The IUPAC name of 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-N,5-dimethyl-1H-imidazole-4-carboxamide (CID 129315646) is 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-N,5-dimethyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-N,5-dimethyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-N,5-dimethyl-1H-imidazole-4-carboxamide is CNC(=O)c1nc(-c2cc(-c3cnn(Cc4ccc(Cl)cc4)c3)ccn2)[nH]c1C.
What is the InChIKey of 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-N,5-dimethyl-1H-imidazole-4-carboxamide?
The InChIKey is QGCAGEBGLMSCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O/c1-13-19(21(29)23-2)27-20(26-13)18-9-15(7-8-24-18)16-10-25-28(12-16)11-14-3-5-17(22)6-4-14/h3-10,12H,11H2,1-2H3,(H,23,29)(H,26,27).
What are the key properties of 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-N,5-dimethyl-1H-imidazole-4-carboxamide?
2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-N,5-dimethyl-1H-imidazole-4-carboxamide has a molecular weight of 406.88 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-N,5-dimethyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 129315646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).