1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride

C22H25ClN4O2 — CID 119449675

IUPAC1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C22H24N4O2.ClH/c1-28-19-9-7-17(8-10-19)21-20(22(27)24-18-11-12-23-13-18)15-26(25-21)14-16-5-3-2-4-6-16;/h2-10,15,18,23H,11-14H2,1H3,(H,24,27);1H
InChIKeyPMVFQMAJTFEFLS-UHFFFAOYSA-N
MW412.92 g/mol
LogP3.12
Rot. Bonds6

About 1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride

1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119449675) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID119449675
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C22H24N4O2.ClH/c1-28-19-9-7-17(8-10-19)21-20(22(27)24-18-11-12-23-13-18)15-26(25-21)14-16-5-3-2-4-6-16;/h2-10,15,18,23H,11-14H2,1H3,(H,24,27);1H
InChIKeyPMVFQMAJTFEFLS-UHFFFAOYSA-N
XLogP3.12
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
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CID 95689853
N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
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ethyl N-[2-[[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
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1-benzyl-3-(4-chlorophenyl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 46477065
3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119452890
3-(4-methoxyphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride (CID 119449675) is 1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride is COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC2CCNC2)cc1.Cl.
What is the InChIKey of 1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is PMVFQMAJTFEFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2.ClH/c1-28-19-9-7-17(8-10-19)21-20(22(27)24-18-11-12-23-13-18)15-26(25-21)14-16-5-3-2-4-6-16;/h2-10,15,18,23H,11-14H2,1H3,(H,24,27);1H.
What are the key properties of 1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 412.92 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119449675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).