N-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide

C20H20FN3O2 — CID 97258900

IUPACN-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide
SMILESCO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H20FN3O2/c1-14(19(26-2)17-10-6-7-11-18(17)21)23-20(25)15-12-22-24(13-15)16-8-4-3-5-9-16/h3-14,19H,1-2H3,(H,23,25)/t14-,19+/m0/s1
InChIKeyZXKKGVIWJBXTKB-IFXJQAMLSA-N
MW353.40 g/mol
LogP3.52
Rot. Bonds6

About N-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide

N-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide (PubChem CID 97258900) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide
PubChem CID97258900
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide
SMILESCO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H20FN3O2/c1-14(19(26-2)17-10-6-7-11-18(17)21)23-20(25)15-12-22-24(13-15)16-8-4-3-5-9-16/h3-14,19H,1-2H3,(H,23,25)/t14-,19+/m0/s1
InChIKeyZXKKGVIWJBXTKB-IFXJQAMLSA-N
XLogP3.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
N-[1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 24625573
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 51646823
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494
N-[2-amino-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylpyrazole-4-carboxamide
CID 166361248
N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 16677386
N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 26246673
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
CID 25343900
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210715
N-[(S)-cyano-(2,4-difluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 95618021
N-(1-chlorobutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 114294313

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide (CID 97258900) is N-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide is CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZXKKGVIWJBXTKB-IFXJQAMLSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-14(19(26-2)17-10-6-7-11-18(17)21)23-20(25)15-12-22-24(13-15)16-8-4-3-5-9-16/h3-14,19H,1-2H3,(H,23,25)/t14-,19+/m0/s1.
What are the key properties of N-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide?
N-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 97258900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).