N,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C24H21N3O3 — CID 23909187

IUPACN,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H21N3O3/c1-29-20-12-8-17(9-13-20)23-22(16-27(26-23)19-6-4-3-5-7-19)24(28)25-18-10-14-21(30-2)15-11-18/h3-16H,1-2H3,(H,25,28)
InChIKeyXMHFVIPIPMMEIQ-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.81
Rot. Bonds6

About N,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

N,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 23909187) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID23909187
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H21N3O3/c1-29-20-12-8-17(9-13-20)23-22(16-27(26-23)19-6-4-3-5-7-19)24(28)25-18-10-14-21(30-2)15-11-18/h3-16H,1-2H3,(H,25,28)
InChIKeyXMHFVIPIPMMEIQ-UHFFFAOYSA-N
XLogP4.81
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-3-methyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 67617845
3-(3-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 2377173
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)formamido]propanamide
CID 23648343
(+/-)-3-(4-(1-(4-(4,5,6,7-tetrahydro-2H-indazol-2-yl)phenoxy)butyl)benzamido)propanoic acid
CID 68178614
3-(2,3-Dihydro-1,4-benzodioxin-6-YL)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 977138
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 882240
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
N-(3-methoxyphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850352
3-(3-Amino-4-methoxyphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 1087054
N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529498

Frequently Asked Questions

What is the IUPAC name of N,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 23909187) is N,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is XMHFVIPIPMMEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-29-20-12-8-17(9-13-20)23-22(16-27(26-23)19-6-4-3-5-7-19)24(28)25-18-10-14-21(30-2)15-11-18/h3-16H,1-2H3,(H,25,28).
What are the key properties of N,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 23909187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).