3-(2,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide

C25H30N4O3 — CID 112795987

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

About 3-(2,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide

3-(2,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 112795987) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID112795987
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name3-(2,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)C2CCN(C)CC2)c(OC)c1
InChIInChI=1S/C25H30N4O3/c1-27-14-12-18(13-15-27)28(2)25(30)22-17-29(19-8-6-5-7-9-19)26-24(22)21-11-10-20(31-3)16-23(21)32-4/h5-11,16-18H,12-15H2,1-4H3
InChIKeyBHLVVBMZDZSHSA-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-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 112795990
3-(2,4-dimethoxyphenyl)-N-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 56503666
3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 112795989
3-(2,4-dimethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 60605961
azocan-1-yl-[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112793142
3-(2,4-dimethoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)butyl]-1-phenylpyrazole-4-carboxamide
CID 55724250
[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 29202082
N-[(4-cyanophenyl)methyl]-3-(2,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 39858570
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide
CID 35377857
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 31361863
N-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 30942340
3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 78803663

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide (CID 112795987) is 3-(2,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)C2CCN(C)CC2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is BHLVVBMZDZSHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-27-14-12-18(13-15-27)28(2)25(30)22-17-29(19-8-6-5-7-9-19)26-24(22)21-11-10-20(31-3)16-23(21)32-4/h5-11,16-18H,12-15H2,1-4H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
3-(2,4-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-(2,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 112795987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).