(2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide

C22H24FN3O — CID 93005134

IUPAC(2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide
SMILESCCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)[C@H](CC)c1ccccc1
InChIInChI=1S/C22H24FN3O/c1-3-9-19-21(20(26-25-19)16-12-8-13-17(23)14-16)24-22(27)18(4-2)15-10-6-5-7-11-15/h5-8,10-14,18H,3-4,9H2,1-2H3,(H,24,27)(H,25,26)/t18-/m1/s1
InChIKeyRYCXFMIFZSUSKL-GOSISDBHSA-N
MW365.45 g/mol
LogP5.30
Rot. Bonds7

About (2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide

(2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide (PubChem CID 93005134) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is (2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide
PubChem CID93005134
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name(2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide
SMILESCCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)[C@H](CC)c1ccccc1
InChIInChI=1S/C22H24FN3O/c1-3-9-19-21(20(26-25-19)16-12-8-13-17(23)14-16)24-22(27)18(4-2)15-10-6-5-7-11-15/h5-8,10-14,18H,3-4,9H2,1-2H3,(H,24,27)(H,25,26)/t18-/m1/s1
InChIKeyRYCXFMIFZSUSKL-GOSISDBHSA-N
XLogP5.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005130
N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 42686286
4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686304
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 42686326
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42686082
2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide
CID 42874098
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
CID 42686101
(2S)-N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide
CID 93016914
2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686957
N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide
CID 42686943
1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
CID 42874332
N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide
CID 42687275

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide (CID 93005134) is (2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide is CCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)[C@H](CC)c1ccccc1.
What is the InChIKey of (2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide?
The InChIKey is RYCXFMIFZSUSKL-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-3-9-19-21(20(26-25-19)16-12-8-13-17(23)14-16)24-22(27)18(4-2)15-10-6-5-7-11-15/h5-8,10-14,18H,3-4,9H2,1-2H3,(H,24,27)(H,25,26)/t18-/m1/s1.
What are the key properties of (2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide?
(2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide has a molecular weight of 365.45 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide is sourced from PubChem (CID 93005134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).