N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide

C29H27N5O — CID 998979

IUPACN-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1cc(C)n(Cc2ccc(NC(=O)c3c(-c4ccccc4)nn(-c4ccccc4)c3C)cc2)n1
InChIInChI=1S/C29H27N5O/c1-20-18-21(2)33(31-20)19-23-14-16-25(17-15-23)30-29(35)27-22(3)34(26-12-8-5-9-13-26)32-28(27)24-10-6-4-7-11-24/h4-18H,19H2,1-3H3,(H,30,35)
InChIKeyWXFIOZQUNZIGEL-UHFFFAOYSA-N
MW461.57 g/mol
LogP5.96
Rot. Bonds6

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

N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 998979) has the molecular formula C29H27N5O and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
PubChem CID998979
Molecular FormulaC29H27N5O
Molecular Weight461.57 g/mol
Exact Mass461.22
IUPAC NameN-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1cc(C)n(Cc2ccc(NC(=O)c3c(-c4ccccc4)nn(-c4ccccc4)c3C)cc2)n1
InChIInChI=1S/C29H27N5O/c1-20-18-21(2)33(31-20)19-23-14-16-25(17-15-23)30-29(35)27-22(3)34(26-12-8-5-9-13-26)32-28(27)24-10-6-4-7-11-24/h4-18H,19H2,1-3H3,(H,30,35)
InChIKeyWXFIOZQUNZIGEL-UHFFFAOYSA-N
XLogP5.96
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 ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxyphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473579
5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19473299
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473442
N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473450
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19282557
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
CID 49016835
N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 94872709
N-(4-carbamoylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 48980777
N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473295
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide (CID 998979) is N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide is Cc1cc(C)n(Cc2ccc(NC(=O)c3c(-c4ccccc4)nn(-c4ccccc4)c3C)cc2)n1.
What is the InChIKey of N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is WXFIOZQUNZIGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O/c1-20-18-21(2)33(31-20)19-23-14-16-25(17-15-23)30-29(35)27-22(3)34(26-12-8-5-9-13-26)32-28(27)24-10-6-4-7-11-24/h4-18H,19H2,1-3H3,(H,30,35).
What are the key properties of N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 998979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).