2-[5-amino-3-(3-fluorophenyl)pyrazol-1-yl]cycloheptan-1-ol

C16H20FN3O — CID 62713040

IUPAC2-[5-amino-3-(3-fluorophenyl)pyrazol-1-yl]cycloheptan-1-ol
SMILESNc1cc(-c2cccc(F)c2)nn1C1CCCCCC1O
InChIInChI=1S/C16H20FN3O/c17-12-6-4-5-11(9-12)13-10-16(18)20(19-13)14-7-2-1-3-8-15(14)21/h4-6,9-10,14-15,21H,1-3,7-8,18H2
InChIKeyNRJULFNWYRZVBB-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.14
Rot. Bonds2

About 2-[5-amino-3-(3-fluorophenyl)pyrazol-1-yl]cycloheptan-1-ol

2-[5-amino-3-(3-fluorophenyl)pyrazol-1-yl]cycloheptan-1-ol (PubChem CID 62713040) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[5-amino-3-(3-fluorophenyl)pyrazol-1-yl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[5-amino-3-(3-fluorophenyl)pyrazol-1-yl]cycloheptan-1-ol
PubChem CID62713040
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-[5-amino-3-(3-fluorophenyl)pyrazol-1-yl]cycloheptan-1-ol
SMILESNc1cc(-c2cccc(F)c2)nn1C1CCCCCC1O
InChIInChI=1S/C16H20FN3O/c17-12-6-4-5-11(9-12)13-10-16(18)20(19-13)14-7-2-1-3-8-15(14)21/h4-6,9-10,14-15,21H,1-3,7-8,18H2
InChIKeyNRJULFNWYRZVBB-UHFFFAOYSA-N
XLogP3.14
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-amino-3-(3-bromophenyl)pyrazol-1-yl]cycloheptan-1-ol
CID 62713218
1-ethyl-3-(3-fluorophenyl)pyrazol-5-amine
CID 61265903
2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol
CID 62714088
1-cyclobutyl-3-phenylpyrazol-5-amine
CID 56604603
trans-(1R,2R)-2-[4-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperazin-1-yl]cyclopentan-1-ol
CID 146146695
N-cyclohexyl-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 46105451
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 154786376
5-cyclooctyl-4-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 65018235
2-(5-aminopyrazol-1-yl)cyclohexan-1-ol
CID 62712857
2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 118062871
N-cyclopentyl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863151
2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine
CID 117128450

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(3-fluorophenyl)pyrazol-1-yl]cycloheptan-1-ol?
The IUPAC name of 2-[5-amino-3-(3-fluorophenyl)pyrazol-1-yl]cycloheptan-1-ol (CID 62713040) is 2-[5-amino-3-(3-fluorophenyl)pyrazol-1-yl]cycloheptan-1-ol.
What is the SMILES notation for 2-[5-amino-3-(3-fluorophenyl)pyrazol-1-yl]cycloheptan-1-ol?
The canonical SMILES for 2-[5-amino-3-(3-fluorophenyl)pyrazol-1-yl]cycloheptan-1-ol is Nc1cc(-c2cccc(F)c2)nn1C1CCCCCC1O.
What is the InChIKey of 2-[5-amino-3-(3-fluorophenyl)pyrazol-1-yl]cycloheptan-1-ol?
The InChIKey is NRJULFNWYRZVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-12-6-4-5-11(9-12)13-10-16(18)20(19-13)14-7-2-1-3-8-15(14)21/h4-6,9-10,14-15,21H,1-3,7-8,18H2.
What are the key properties of 2-[5-amino-3-(3-fluorophenyl)pyrazol-1-yl]cycloheptan-1-ol?
2-[5-amino-3-(3-fluorophenyl)pyrazol-1-yl]cycloheptan-1-ol has a molecular weight of 289.35 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(3-fluorophenyl)pyrazol-1-yl]cycloheptan-1-ol is sourced from PubChem (CID 62713040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).