1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide

C14H16FN3O2 — CID 97241766

IUPAC1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide
SMILESC[C@@H](CO)N(C)C(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C14H16FN3O2/c1-10(9-19)17(2)14(20)12-7-8-18(16-12)13-6-4-3-5-11(13)15/h3-8,10,19H,9H2,1-2H3/t10-/m0/s1
InChIKeyWJELBPPDMZOBEW-JTQLQIEISA-N
MW277.30 g/mol
LogP1.46
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide

1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide (PubChem CID 97241766) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide
PubChem CID97241766
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide
SMILESC[C@@H](CO)N(C)C(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C14H16FN3O2/c1-10(9-19)17(2)14(20)12-7-8-18(16-12)13-6-4-3-5-11(13)15/h3-8,10,19H,9H2,1-2H3/t10-/m0/s1
InChIKeyWJELBPPDMZOBEW-JTQLQIEISA-N
XLogP1.46
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
3-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119206835
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide
CID 120827733
1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide
CID 111447765
1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide
CID 78863955
1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 43570572
1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480425
1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 60589600
N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 55647998
N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55651671
1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide
CID 43569580
2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119194581

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide (CID 97241766) is 1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide is C[C@@H](CO)N(C)C(=O)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide?
The InChIKey is WJELBPPDMZOBEW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-10(9-19)17(2)14(20)12-7-8-18(16-12)13-6-4-3-5-11(13)15/h3-8,10,19H,9H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 97241766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).