1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide

C16H20FN3O2 — CID 111447765

IUPAC1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C16H20FN3O2/c1-11(9-12(2)21)10-18-16(22)14-7-8-20(19-14)15-6-4-3-5-13(15)17/h3-8,11-12,21H,9-10H2,1-2H3,(H,18,22)
InChIKeyYPGGGKNYQZOONX-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.15
Rot. Bonds6

About 1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide

1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide (PubChem CID 111447765) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide
PubChem CID111447765
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C16H20FN3O2/c1-11(9-12(2)21)10-18-16(22)14-7-8-20(19-14)15-6-4-3-5-13(15)17/h3-8,11-12,21H,9-10H2,1-2H3,(H,18,22)
InChIKeyYPGGGKNYQZOONX-UHFFFAOYSA-N
XLogP2.15
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide
CID 120827733
1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480425
N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55651671
1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide
CID 78863955
1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide
CID 97241766
1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 63983474
6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 119219679
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55652048
3-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119206835
N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55648066
N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111447022

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide (CID 111447765) is 1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide is CC(O)CC(C)CNC(=O)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide?
The InChIKey is YPGGGKNYQZOONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-11(9-12(2)21)10-18-16(22)14-7-8-20(19-14)15-6-4-3-5-13(15)17/h3-8,11-12,21H,9-10H2,1-2H3,(H,18,22).
What are the key properties of 1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide has a molecular weight of 305.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide is sourced from PubChem (CID 111447765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).