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

C16H20FN3O2 — CID 111460687

IUPAC1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
SMILESCC(C)C(O)CCNC(=O)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C16H20FN3O2/c1-11(2)15(21)7-8-18-16(22)12-9-19-20(10-12)14-6-4-3-5-13(14)17/h3-6,9-11,15,21H,7-8H2,1-2H3,(H,18,22)
InChIKeyDBSYCFIGNAHLEB-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.15
Rot. Bonds6

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

1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide (PubChem CID 111460687) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
PubChem CID111460687
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
SMILESCC(C)C(O)CCNC(=O)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C16H20FN3O2/c1-11(2)15(21)7-8-18-16(22)12-9-19-20(10-12)14-6-4-3-5-13(14)17/h3-6,9-11,15,21H,7-8H2,1-2H3,(H,18,22)
InChIKeyDBSYCFIGNAHLEB-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-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111461412
1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460800
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 94828484
1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 134608302
1-ethyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 71921815
(2S)-2-[[1-(2-fluorophenyl)pyrazole-4-carbonyl]amino]heptanoic acid
CID 99781228
N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 94828526
N-(4-bromopentyl)-1-phenylpyrazole-4-carboxamide
CID 106131314
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 86885371
1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 75526443
1-(3-chlorophenyl)-N-[(3S)-3-hydroxybutyl]pyrazole-4-carboxamide
CID 95980723
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide (CID 111460687) is 1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide is CC(C)C(O)CCNC(=O)c1cnn(-c2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide?
The InChIKey is DBSYCFIGNAHLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-11(2)15(21)7-8-18-16(22)12-9-19-20(10-12)14-6-4-3-5-13(14)17/h3-6,9-11,15,21H,7-8H2,1-2H3,(H,18,22).
What are the key properties of 1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-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-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide is sourced from PubChem (CID 111460687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).