3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide

C25H30N4O — CID 112795989

IUPAC3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)C2CCN(C)CC2)cc1C
InChIInChI=1S/C25H30N4O/c1-18-10-11-20(16-19(18)2)24-23(17-29(26-24)22-8-6-5-7-9-22)25(30)28(4)21-12-14-27(3)15-13-21/h5-11,16-17,21H,12-15H2,1-4H3
InChIKeyFISMGJLFLFIGGL-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.32
Rot. Bonds4

About 3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide

3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 112795989) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID112795989
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)C2CCN(C)CC2)cc1C
InChIInChI=1S/C25H30N4O/c1-18-10-11-20(16-19(18)2)24-23(17-29(26-24)22-8-6-5-7-9-22)25(30)28(4)21-12-14-27(3)15-13-21/h5-11,16-17,21H,12-15H2,1-4H3
InChIKeyFISMGJLFLFIGGL-UHFFFAOYSA-N
XLogP4.32
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 112795990
3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide
CID 43007655
3-(2,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 112795987
[1-[3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949559
3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126772957
N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119477405
(E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 9167966
3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
CID 9224757
[4-[3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 38911311
3-(3,4-dimethylphenyl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide
CID 55869482
1-benzyl-3-(3-methoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 112796000
N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2412473

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide (CID 112795989) is 3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)C2CCN(C)CC2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is FISMGJLFLFIGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-18-10-11-20(16-19(18)2)24-23(17-29(26-24)22-8-6-5-7-9-22)25(30)28(4)21-12-14-27(3)15-13-21/h5-11,16-17,21H,12-15H2,1-4H3.
What are the key properties of 3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 112795989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).