5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide

C14H15F2N3O2 — CID 136586319

IUPAC5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
SMILESC[C@H](NC(=O)c1cc(C(F)F)n(C)n1)c1cccc(O)c1
InChIInChI=1S/C14H15F2N3O2/c1-8(9-4-3-5-10(20)6-9)17-14(21)11-7-12(13(15)16)19(2)18-11/h3-8,13,20H,1-2H3,(H,17,21)/t8-/m0/s1
InChIKeyXIXVFFWAGSIDFH-QMMMGPOBSA-N
MW295.29 g/mol
LogP2.55
Rot. Bonds4

About 5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide

5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide (PubChem CID 136586319) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
PubChem CID136586319
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
SMILESC[C@H](NC(=O)c1cc(C(F)F)n(C)n1)c1cccc(O)c1
InChIInChI=1S/C14H15F2N3O2/c1-8(9-4-3-5-10(20)6-9)17-14(21)11-7-12(13(15)16)19(2)18-11/h3-8,13,20H,1-2H3,(H,17,21)/t8-/m0/s1
InChIKeyXIXVFFWAGSIDFH-QMMMGPOBSA-N
XLogP2.55
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 122171416
N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide
CID 136564730
5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46105004
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
2-amino-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 61213095
5-(4-methoxyphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46104570
5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 93013913
1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide
CID 75767454
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219015
6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 61040520
4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123418

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide (CID 136586319) is 5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide is C[C@H](NC(=O)c1cc(C(F)F)n(C)n1)c1cccc(O)c1.
What is the InChIKey of 5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is XIXVFFWAGSIDFH-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-8(9-4-3-5-10(20)6-9)17-14(21)11-7-12(13(15)16)19(2)18-11/h3-8,13,20H,1-2H3,(H,17,21)/t8-/m0/s1.
What are the key properties of 5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide?
5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136586319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).