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

C25H30N4O3 — CID 112795990

IUPAC3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)C2CCN(C)CC2)cc1OC
InChIInChI=1S/C25H30N4O3/c1-27-14-12-19(13-15-27)28(2)25(30)21-17-29(20-8-6-5-7-9-20)26-24(21)18-10-11-22(31-3)23(16-18)32-4/h5-11,16-17,19H,12-15H2,1-4H3
InChIKeyUUGUAAANNGBGIO-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.72
Rot. Bonds6

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

3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 112795990) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID112795990
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)C2CCN(C)CC2)cc1OC
InChIInChI=1S/C25H30N4O3/c1-27-14-12-19(13-15-27)28(2)25(30)21-17-29(20-8-6-5-7-9-20)26-24(21)18-10-11-22(31-3)23(16-18)32-4/h5-11,16-17,19H,12-15H2,1-4H3
InChIKeyUUGUAAANNGBGIO-UHFFFAOYSA-N
XLogP3.72
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 112795989
3-(2,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 112795987
N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 86939949
[1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469903
3-(3,4-dimethoxyphenyl)-N-methyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 18114147
3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 55358256
N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 9296494
N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762
3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119452890
ethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate
CID 27555135
1-benzyl-3-(3-methoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 112796000
3-(3,4-dimethoxyphenyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 26454642

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide (CID 112795990) is 3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)C2CCN(C)CC2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is UUGUAAANNGBGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-27-14-12-19(13-15-27)28(2)25(30)21-17-29(20-8-6-5-7-9-20)26-24(21)18-10-11-22(31-3)23(16-18)32-4/h5-11,16-17,19H,12-15H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 112795990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).