1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide

C27H26N4O2 — CID 38746467

IUPAC1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C27H26N4O2/c1-28-26(32)23-15-13-21(14-16-23)17-30(2)27(33)24-19-31(18-20-9-5-3-6-10-20)29-25(24)22-11-7-4-8-12-22/h3-16,19H,17-18H2,1-2H3,(H,28,32)
InChIKeyYXKFZFISIKLJMO-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.23
Rot. Bonds7

About 1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide

1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide (PubChem CID 38746467) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide
PubChem CID38746467
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C27H26N4O2/c1-28-26(32)23-15-13-21(14-16-23)17-30(2)27(33)24-19-31(18-20-9-5-3-6-10-20)29-25(24)22-11-7-4-8-12-22/h3-16,19H,17-18H2,1-2H3,(H,28,32)
InChIKeyYXKFZFISIKLJMO-UHFFFAOYSA-N
XLogP4.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide
CID 17423011
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide
CID 166187356
N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 8967925
N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide
CID 90280333
1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 9301580
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide
CID 99181106
methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate
CID 55837549
1-benzyl-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylpyrazole-4-carboxamide
CID 55637417
1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 119429455
1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide
CID 42916251
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide
CID 9227116

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide (CID 38746467) is 1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide?
The InChIKey is YXKFZFISIKLJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-28-26(32)23-15-13-21(14-16-23)17-30(2)27(33)24-19-31(18-20-9-5-3-6-10-20)29-25(24)22-11-7-4-8-12-22/h3-16,19H,17-18H2,1-2H3,(H,28,32).
What are the key properties of 1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide?
1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 38746467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).