N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide

C23H23N5O — CID 9462410

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C23H23N5O/c1-17-21(18(2)28(25-17)20-12-8-5-9-13-20)15-26(3)23(29)22-14-24-16-27(22)19-10-6-4-7-11-19/h4-14,16H,15H2,1-3H3
InChIKeyZUZXUAQXRVPARZ-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.95
Rot. Bonds5

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide (PubChem CID 9462410) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide
PubChem CID9462410
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C23H23N5O/c1-17-21(18(2)28(25-17)20-12-8-5-9-13-20)15-26(3)23(29)22-14-24-16-27(22)19-10-6-4-7-11-19/h4-14,16H,15H2,1-3H3
InChIKeyZUZXUAQXRVPARZ-UHFFFAOYSA-N
XLogP3.95
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 51331839
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CID 33214740
3-benzyl-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methylurea
CID 27533724
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-pyrrol-1-ylbenzamide
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CID 51187625
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N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 32544801
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 31031484
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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide (CID 9462410) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cncn1-c1ccccc1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide?
The InChIKey is ZUZXUAQXRVPARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-17-21(18(2)28(25-17)20-12-8-5-9-13-20)15-26(3)23(29)22-14-24-16-27(22)19-10-6-4-7-11-19/h4-14,16H,15H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 9462410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).