3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride

C22H25ClN4O3 — CID 119452890

IUPAC3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCNC2)cc1OC.Cl
InChIInChI=1S/C22H24N4O3.ClH/c1-28-19-9-8-15(12-20(19)29-2)21-18(22(27)24-16-10-11-23-13-16)14-26(25-21)17-6-4-3-5-7-17;/h3-9,12,14,16,23H,10-11,13H2,1-2H3,(H,24,27);1H
InChIKeyQUQHTYKGODTBMZ-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.07
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride

3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119452890) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID119452890
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCNC2)cc1OC.Cl
InChIInChI=1S/C22H24N4O3.ClH/c1-28-19-9-8-15(12-20(19)29-2)21-18(22(27)24-16-10-11-23-13-16)14-26(25-21)17-6-4-3-5-7-17;/h3-9,12,14,16,23H,10-11,13H2,1-2H3,(H,24,27);1H
InChIKeyQUQHTYKGODTBMZ-UHFFFAOYSA-N
XLogP3.07
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126772957
N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762
N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 9296494
N-(4-acetamidophenyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29195602
3-(4-methoxyphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 120602000
3-(5-methylfuran-2-yl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126775523
N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119477405
3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide
CID 25475855
3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120558047
3-(3,4-dimethoxyphenyl)-N-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-1-phenylpyrazole-4-carboxamide
CID 51514887
4-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-2-one
CID 31096486
N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 86939949

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride (CID 119452890) is 3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCNC2)cc1OC.Cl.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is QUQHTYKGODTBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3.ClH/c1-28-19-9-8-15(12-20(19)29-2)21-18(22(27)24-16-10-11-23-13-16)14-26(25-21)17-6-4-3-5-7-17;/h3-9,12,14,16,23H,10-11,13H2,1-2H3,(H,24,27);1H.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 428.92 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119452890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).