4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride

C17H23ClN4O2 — CID 119529856

IUPAC4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1nn(-c2ccccc2)cc1O)C1CCNC1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-2-10-20(14-8-9-18-11-14)17(23)16-15(22)12-21(19-16)13-6-4-3-5-7-13;/h3-7,12,14,18,22H,2,8-11H2,1H3;1H
InChIKeyHENXAYGMIUAKQR-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.21
Rot. Bonds5

About 4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride

4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride (PubChem CID 119529856) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
PubChem CID119529856
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1nn(-c2ccccc2)cc1O)C1CCNC1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-2-10-20(14-8-9-18-11-14)17(23)16-15(22)12-21(19-16)13-6-4-3-5-7-13;/h3-7,12,14,18,22H,2,8-11H2,1H3;1H
InChIKeyHENXAYGMIUAKQR-UHFFFAOYSA-N
XLogP2.21
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119532306
3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530213
N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610258
1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119530408
2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide
CID 168858472
1-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide
CID 119532334
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide
CID 119531389
2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride
CID 119531604
N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 119824042
5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 119825262
1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119532202

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride (CID 119529856) is 4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride is CCCN(C(=O)c1nn(-c2ccccc2)cc1O)C1CCNC1.Cl.
What is the InChIKey of 4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is HENXAYGMIUAKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-2-10-20(14-8-9-18-11-14)17(23)16-15(22)12-21(19-16)13-6-4-3-5-7-13;/h3-7,12,14,18,22H,2,8-11H2,1H3;1H.
What are the key properties of 4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119529856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).