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

C29H27N5O — CID 19473347

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C
InChIInChI=1S/C29H27N5O/c1-20-26(21(2)33(31-20)24-15-9-5-10-16-24)19-30-29(35)27-22(3)34(25-17-11-6-12-18-25)32-28(27)23-13-7-4-8-14-23/h4-18H,19H2,1-3H3,(H,30,35)
InChIKeyFVAYMWLYXNIFDS-UHFFFAOYSA-N
MW461.57 g/mol
LogP5.58
Rot. Bonds6

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

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19473347) has the molecular formula C29H27N5O and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19473347
Molecular FormulaC29H27N5O
Molecular Weight461.57 g/mol
Exact Mass461.22
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C
InChIInChI=1S/C29H27N5O/c1-20-26(21(2)33(31-20)24-15-9-5-10-16-24)19-30-29(35)27-22(3)34(25-17-11-6-12-18-25)32-28(27)23-13-7-4-8-14-23/h4-18H,19H2,1-3H3,(H,30,35)
InChIKeyFVAYMWLYXNIFDS-UHFFFAOYSA-N
XLogP5.58
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481238
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473366
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 143069575
5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19473385
2-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25024355
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
CID 4016241
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 99699804
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 27882833

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide (CID 19473347) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is FVAYMWLYXNIFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O/c1-20-26(21(2)33(31-20)24-15-9-5-10-16-24)19-30-29(35)27-22(3)34(25-17-11-6-12-18-25)32-28(27)23-13-7-4-8-14-23/h4-18H,19H2,1-3H3,(H,30,35).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 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]-5-methyl-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19473347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).