3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide

C22H25N3O2 — CID 42755289

IUPAC3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC(C)C)n(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C22H25N3O2/c1-15(2)14-23-22(26)21-13-20(17-7-11-19(27-4)12-8-17)24-25(21)18-9-5-16(3)6-10-18/h5-13,15H,14H2,1-4H3,(H,23,26)
InChIKeyFZDAVSLAOLZKQE-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.24
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide

3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 42755289) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID42755289
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC(C)C)n(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C22H25N3O2/c1-15(2)14-23-22(26)21-13-20(17-7-11-19(27-4)12-8-17)24-25(21)18-9-5-16(3)6-10-18/h5-13,15H,14H2,1-4H3,(H,23,26)
InChIKeyFZDAVSLAOLZKQE-UHFFFAOYSA-N
XLogP4.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42755291
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
1-(4-methoxyphenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 91872022
1-(4-methylphenyl)-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812787
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5224331
N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4597615
3-(3,4-dimethylphenyl)-N-(2-methylpropyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3989832
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755338
N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 7431429
3-(4-fluorophenyl)-N-(2-methoxyethyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 4558582
1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5195626
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 3940824

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide (CID 42755289) is 3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCC(C)C)n(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is FZDAVSLAOLZKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(2)14-23-22(26)21-13-20(17-7-11-19(27-4)12-8-17)24-25(21)18-9-5-16(3)6-10-18/h5-13,15H,14H2,1-4H3,(H,23,26).
What are the key properties of 3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42755289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).