3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

C30H32N4O3 — CID 112765029

IUPAC3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(c2ccccc2)N2CCCC2)c(OC)c1
InChIInChI=1S/C30H32N4O3/c1-36-24-15-16-25(28(19-24)37-2)29-26(21-34(32-29)23-13-7-4-8-14-23)30(35)31-20-27(33-17-9-10-18-33)22-11-5-3-6-12-22/h3-8,11-16,19,21,27H,9-10,17-18,20H2,1-2H3,(H,31,35)
InChIKeyFHRXNCWOBSTYNH-UHFFFAOYSA-N
MW496.61 g/mol
LogP5.12
Rot. Bonds9

About 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (PubChem CID 112765029) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
PubChem CID112765029
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC Name3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(c2ccccc2)N2CCCC2)c(OC)c1
InChIInChI=1S/C30H32N4O3/c1-36-24-15-16-25(28(19-24)37-2)29-26(21-34(32-29)23-13-7-4-8-14-23)30(35)31-20-27(33-17-9-10-18-33)22-11-5-3-6-12-22/h3-8,11-16,19,21,27H,9-10,17-18,20H2,1-2H3,(H,31,35)
InChIKeyFHRXNCWOBSTYNH-UHFFFAOYSA-N
XLogP5.12
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 78803663
3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 25479424
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide
CID 35377857
N-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 30942340
3-(2,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 34766943
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide
CID 29202756
3-(2,4-dimethoxyphenyl)-N-[2-(ethylamino)ethyl]-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119507189
3-(2,4-dimethoxyphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 46399913
3-(2,4-dimethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 60605961
3-(2,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 29207262
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 40794551
3-(2,4-dimethoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)butyl]-1-phenylpyrazole-4-carboxamide
CID 55724250

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (CID 112765029) is 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(c2ccccc2)N2CCCC2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The InChIKey is FHRXNCWOBSTYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-36-24-15-16-25(28(19-24)37-2)29-26(21-34(32-29)23-13-7-4-8-14-23)30(35)31-20-27(33-17-9-10-18-33)22-11-5-3-6-12-22/h3-8,11-16,19,21,27H,9-10,17-18,20H2,1-2H3,(H,31,35).
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 112765029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).