3-cyclopropyl-3-(4-hydroxyphenyl)-N-(3-hydroxy-2-pyrazol-1-ylcyclobutyl)propanamide

C19H23N3O3 — CID 166254544

IUPAC3-cyclopropyl-3-(4-hydroxyphenyl)-N-(3-hydroxy-2-pyrazol-1-ylcyclobutyl)propanamide
SMILESO=C(CC(c1ccc(O)cc1)C1CC1)NC1CC(O)C1n1cccn1
InChIInChI=1S/C19H23N3O3/c23-14-6-4-13(5-7-14)15(12-2-3-12)10-18(25)21-16-11-17(24)19(16)22-9-1-8-20-22/h1,4-9,12,15-17,19,23-24H,2-3,10-11H2,(H,21,25)
InChIKeyNUVLTJOPKXCBSW-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.96
Rot. Bonds6

About 3-cyclopropyl-3-(4-hydroxyphenyl)-N-(3-hydroxy-2-pyrazol-1-ylcyclobutyl)propanamide

3-cyclopropyl-3-(4-hydroxyphenyl)-N-(3-hydroxy-2-pyrazol-1-ylcyclobutyl)propanamide (PubChem CID 166254544) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-hydroxyphenyl)-N-(3-hydroxy-2-pyrazol-1-ylcyclobutyl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-hydroxyphenyl)-N-(3-hydroxy-2-pyrazol-1-ylcyclobutyl)propanamide
PubChem CID166254544
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-cyclopropyl-3-(4-hydroxyphenyl)-N-(3-hydroxy-2-pyrazol-1-ylcyclobutyl)propanamide
SMILESO=C(CC(c1ccc(O)cc1)C1CC1)NC1CC(O)C1n1cccn1
InChIInChI=1S/C19H23N3O3/c23-14-6-4-13(5-7-14)15(12-2-3-12)10-18(25)21-16-11-17(24)19(16)22-9-1-8-20-22/h1,4-9,12,15-17,19,23-24H,2-3,10-11H2,(H,21,25)
InChIKeyNUVLTJOPKXCBSW-UHFFFAOYSA-N
XLogP1.96
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-N-[4-(hydroxymethyl)cyclohexyl]-3-(4-hydroxyphenyl)propanamide
CID 126815250
N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-morpholin-4-ylacetamide
CID 167906654
N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 154762271
(1R,2R,3S)-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)-2-pyrazol-1-ylcyclobutan-1-ol
CID 167926150
(1S,2R,3R)-3-amino-2-pyrazol-1-ylcyclobutan-1-ol
CID 124887297
3-[4-(5-chloropyrazol-1-yl)phenyl]-3-cyclopropylpropanoic acid
CID 117469780
5-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-methylbenzenesulfonamide
CID 154761364
3-cyclopropyl-N-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylpropanamide
CID 175526153
3-cyclopropyl-3-(4-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 154877748
ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate
CID 110413273
N-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide
CID 110304551
3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide
CID 110306942

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-hydroxyphenyl)-N-(3-hydroxy-2-pyrazol-1-ylcyclobutyl)propanamide?
The IUPAC name of 3-cyclopropyl-3-(4-hydroxyphenyl)-N-(3-hydroxy-2-pyrazol-1-ylcyclobutyl)propanamide (CID 166254544) is 3-cyclopropyl-3-(4-hydroxyphenyl)-N-(3-hydroxy-2-pyrazol-1-ylcyclobutyl)propanamide.
What is the SMILES notation for 3-cyclopropyl-3-(4-hydroxyphenyl)-N-(3-hydroxy-2-pyrazol-1-ylcyclobutyl)propanamide?
The canonical SMILES for 3-cyclopropyl-3-(4-hydroxyphenyl)-N-(3-hydroxy-2-pyrazol-1-ylcyclobutyl)propanamide is O=C(CC(c1ccc(O)cc1)C1CC1)NC1CC(O)C1n1cccn1.
What is the InChIKey of 3-cyclopropyl-3-(4-hydroxyphenyl)-N-(3-hydroxy-2-pyrazol-1-ylcyclobutyl)propanamide?
The InChIKey is NUVLTJOPKXCBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-14-6-4-13(5-7-14)15(12-2-3-12)10-18(25)21-16-11-17(24)19(16)22-9-1-8-20-22/h1,4-9,12,15-17,19,23-24H,2-3,10-11H2,(H,21,25).
What are the key properties of 3-cyclopropyl-3-(4-hydroxyphenyl)-N-(3-hydroxy-2-pyrazol-1-ylcyclobutyl)propanamide?
3-cyclopropyl-3-(4-hydroxyphenyl)-N-(3-hydroxy-2-pyrazol-1-ylcyclobutyl)propanamide has a molecular weight of 341.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-hydroxyphenyl)-N-(3-hydroxy-2-pyrazol-1-ylcyclobutyl)propanamide is sourced from PubChem (CID 166254544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).