N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide

C20H20FN3O — CID 51646823

IUPACN-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O/c1-14(2)19(15-8-10-17(21)11-9-15)23-20(25)16-12-22-24(13-16)18-6-4-3-5-7-18/h3-14,19H,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeySBAMSOBELZIFLE-LJQANCHMSA-N
MW337.40 g/mol
LogP4.14
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide

N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 51646823) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
PubChem CID51646823
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O/c1-14(2)19(15-8-10-17(21)11-9-15)23-20(25)16-12-22-24(13-16)18-6-4-3-5-7-18/h3-14,19H,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeySBAMSOBELZIFLE-LJQANCHMSA-N
XLogP4.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 24625573
1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide
CID 51646822
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494
1-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)-phenylmethyl]pyrazole-4-carboxamide
CID 46963442
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
CID 25343900
N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 47009683
4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865
4-fluoro-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670868
N-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 46582044
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
N-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 97258900

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide (CID 51646823) is N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide is CC(C)[C@@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is SBAMSOBELZIFLE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14(2)19(15-8-10-17(21)11-9-15)23-20(25)16-12-22-24(13-16)18-6-4-3-5-7-18/h3-14,19H,1-2H3,(H,23,25)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide?
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 51646823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).