(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]methanone

C19H23N3O3 — CID 167860498

IUPAC(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]methanone
SMILESCCc1ccccc1-n1cc(O)c(C(=O)N2CCC(O)(C3CC3)C2)n1
InChIInChI=1S/C19H23N3O3/c1-2-13-5-3-4-6-15(13)22-11-16(23)17(20-22)18(24)21-10-9-19(25,12-21)14-7-8-14/h3-6,11,14,23,25H,2,7-10,12H2,1H3
InChIKeyUNBDYFIYCJKKHA-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.13
Rot. Bonds4

About (3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]methanone

(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]methanone (PubChem CID 167860498) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]methanone
PubChem CID167860498
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]methanone
SMILESCCc1ccccc1-n1cc(O)c(C(=O)N2CCC(O)(C3CC3)C2)n1
InChIInChI=1S/C19H23N3O3/c1-2-13-5-3-4-6-15(13)22-11-16(23)17(20-22)18(24)21-10-9-19(25,12-21)14-7-8-14/h3-6,11,14,23,25H,2,7-10,12H2,1H3
InChIKeyUNBDYFIYCJKKHA-UHFFFAOYSA-N
XLogP2.13
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone
CID 16618646
[4-Hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone
CID 56795377
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclobutyl)methyl]pyrazole-3-carboxamide
CID 71860175
N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 71873821
4-hydroxy-1-(3-propan-2-ylphenyl)-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
CID 71873847
4-hydroxy-N-(2-methoxyethyl)-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 71873869
1-[4-Hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide
CID 71874127
1-(2-fluorophenyl)-4-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 71933248
1-(2-fluorophenyl)-4-hydroxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-3-carboxamide
CID 71933321
4-Hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 71973231
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazole-3-carboxamide
CID 71975342
1-(4-Fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
CID 71975489

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]methanone?
The IUPAC name of (3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]methanone (CID 167860498) is (3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]methanone?
The canonical SMILES for (3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]methanone is CCc1ccccc1-n1cc(O)c(C(=O)N2CCC(O)(C3CC3)C2)n1.
What is the InChIKey of (3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]methanone?
The InChIKey is UNBDYFIYCJKKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-13-5-3-4-6-15(13)22-11-16(23)17(20-22)18(24)21-10-9-19(25,12-21)14-7-8-14/h3-6,11,14,23,25H,2,7-10,12H2,1H3.
What are the key properties of (3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]methanone?
(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]methanone is sourced from PubChem (CID 167860498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).