1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride

C17H23ClN4O2 — CID 119537008

IUPAC1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCOc1ccc(-n2ccc(C(=O)NCCC3CCNC3)n2)cc1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-23-15-4-2-14(3-5-15)21-11-8-16(20-21)17(22)19-10-7-13-6-9-18-12-13;/h2-5,8,11,13,18H,6-7,9-10,12H2,1H3,(H,19,22);1H
InChIKeyRBSMUHBVNQMNSE-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.03
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride

1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 119537008) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID119537008
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCOc1ccc(-n2ccc(C(=O)NCCC3CCNC3)n2)cc1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-23-15-4-2-14(3-5-15)21-11-8-16(20-21)17(22)19-10-7-13-6-9-18-12-13;/h2-5,8,11,13,18H,6-7,9-10,12H2,1H3,(H,19,22);1H
InChIKeyRBSMUHBVNQMNSE-UHFFFAOYSA-N
XLogP2.03
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119407978
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534837
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119535740
1-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide
CID 119532334
1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide
CID 119555823
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537859
1-(4-chlorophenyl)-3-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119535760
1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide
CID 119557613
2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119537526

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride (CID 119537008) is 1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride is COc1ccc(-n2ccc(C(=O)NCCC3CCNC3)n2)cc1.Cl.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is RBSMUHBVNQMNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-23-15-4-2-14(3-5-15)21-11-8-16(20-21)17(22)19-10-7-13-6-9-18-12-13;/h2-5,8,11,13,18H,6-7,9-10,12H2,1H3,(H,19,22);1H.
What are the key properties of 1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride?
1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119537008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).