1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide

C16H18FN3O3 — CID 110013646

IUPAC1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1nn(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C16H18FN3O3/c17-10-1-5-12(6-2-10)20-9-14(22)15(19-20)16(23)18-11-3-7-13(21)8-4-11/h1-2,5-6,9,11,13,21-22H,3-4,7-8H2,(H,18,23)
InChIKeySDDMCLVBRQWVPH-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.75
Rot. Bonds3

About 1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide

1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide (PubChem CID 110013646) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide
PubChem CID110013646
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1nn(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C16H18FN3O3/c17-10-1-5-12(6-2-10)20-9-14(22)15(19-20)16(23)18-11-3-7-13(21)8-4-11/h1-2,5-6,9,11,13,21-22H,3-4,7-8H2,(H,18,23)
InChIKeySDDMCLVBRQWVPH-UHFFFAOYSA-N
XLogP1.75
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide
CID 167856111
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide
CID 110016360
N-cyclopentyl-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 45283984
4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119454366
[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 111969897
N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38701604
N-cyclopropyl-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18136479
1-(4-fluorophenyl)-4-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide
CID 109416456
4-amino-N-(4-hydroxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 65354699
1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide
CID 110004135
1-(4-fluorophenyl)-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]thiourea
CID 8812962
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone
CID 128988278

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide (CID 110013646) is 1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide is O=C(NC1CCC(O)CC1)c1nn(-c2ccc(F)cc2)cc1O.
What is the InChIKey of 1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide?
The InChIKey is SDDMCLVBRQWVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c17-10-1-5-12(6-2-10)20-9-14(22)15(19-20)16(23)18-11-3-7-13(21)8-4-11/h1-2,5-6,9,11,13,21-22H,3-4,7-8H2,(H,18,23).
What are the key properties of 1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide?
1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110013646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).