N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C16H20FN3O2 — CID 96582437

IUPACN-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H](CO)c2ccc(F)cc2)n(C)n1
InChIInChI=1S/C16H20FN3O2/c1-10(2)13-8-15(20(3)19-13)16(22)18-14(9-21)11-4-6-12(17)7-5-11/h4-8,10,14,21H,9H2,1-3H3,(H,18,22)/t14-/m0/s1
InChIKeyMHDHJDPUTJUMEY-AWEZNQCLSA-N
MW305.35 g/mol
LogP2.15
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 96582437) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID96582437
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H](CO)c2ccc(F)cc2)n(C)n1
InChIInChI=1S/C16H20FN3O2/c1-10(2)13-8-15(20(3)19-13)16(22)18-14(9-21)11-4-6-12(17)7-5-11/h4-8,10,14,21H,9H2,1-3H3,(H,18,22)/t14-/m0/s1
InChIKeyMHDHJDPUTJUMEY-AWEZNQCLSA-N
XLogP2.15
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70758162
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565394
1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 50948945
methyl 2-[4-[(1S)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]-2-hydroxyethyl]phenyl]sulfonyl-2-methylpropanoate
CID 155540489
N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 58417388
1-methyl-N-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96572217
1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide
CID 97098017
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555
1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 95122495
5-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide
CID 110001623
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone
CID 82376195

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 96582437) is N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)N[C@@H](CO)c2ccc(F)cc2)n(C)n1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is MHDHJDPUTJUMEY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-10(2)13-8-15(20(3)19-13)16(22)18-14(9-21)11-4-6-12(17)7-5-11/h4-8,10,14,21H,9H2,1-3H3,(H,18,22)/t14-/m0/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 305.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 96582437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).