4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride

C17H23ClN4O2 — CID 119454366

IUPAC4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1ccc(-n2cc(O)c(C(=O)NC3CCNC3)n2)cc1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-11(2)12-3-5-14(6-4-12)21-10-15(22)16(20-21)17(23)19-13-7-8-18-9-13;/h3-6,10-11,13,18,22H,7-9H2,1-2H3,(H,19,23);1H
InChIKeyJCEFWASDCNGKMW-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.21
Rot. Bonds4

About 4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride

4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride (PubChem CID 119454366) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
PubChem CID119454366
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1ccc(-n2cc(O)c(C(=O)NC3CCNC3)n2)cc1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-11(2)12-3-5-14(6-4-12)21-10-15(22)16(20-21)17(23)19-13-7-8-18-9-13;/h3-6,10-11,13,18,22H,7-9H2,1-2H3,(H,19,23);1H
InChIKeyJCEFWASDCNGKMW-UHFFFAOYSA-N
XLogP2.21
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119464684
4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119514811
N-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119509580
1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide
CID 110013646
4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119453024
[3-(1-aminoethyl)piperidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119596854
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
CID 155944583
N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 155951412
4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
CID 119452554
4-hydroxy-N-(6-imidazol-1-yl-3-pyridinyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 167905501
2-[(4-propan-2-ylbenzoyl)amino]-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 119449720
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide
CID 110016360

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride (CID 119454366) is 4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride is CC(C)c1ccc(-n2cc(O)c(C(=O)NC3CCNC3)n2)cc1.Cl.
What is the InChIKey of 4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is JCEFWASDCNGKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-11(2)12-3-5-14(6-4-12)21-10-15(22)16(20-21)17(23)19-13-7-8-18-9-13;/h3-6,10-11,13,18,22H,7-9H2,1-2H3,(H,19,23);1H.
What are the key properties of 4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119454366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).