3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide

C15H18FN3O — CID 38610317

IUPAC3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide
SMILESC[C@@H](Cn1cccn1)NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C15H18FN3O/c1-12(11-19-10-2-9-17-19)18-15(20)8-5-13-3-6-14(16)7-4-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyUPRAQQAEHKTXSI-LBPRGKRZSA-N
MW275.33 g/mol
LogP2.16
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide

3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide (PubChem CID 38610317) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide
PubChem CID38610317
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide
SMILESC[C@@H](Cn1cccn1)NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C15H18FN3O/c1-12(11-19-10-2-9-17-19)18-15(20)8-5-13-3-6-14(16)7-4-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyUPRAQQAEHKTXSI-LBPRGKRZSA-N
XLogP2.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418758
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CID 94870735
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103829742
N-[(4-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide
CID 95276598
2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid
CID 19494063
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38608481
1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47027605
2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 104916779

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide (CID 38610317) is 3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide is C[C@@H](Cn1cccn1)NC(=O)CCc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide?
The InChIKey is UPRAQQAEHKTXSI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-12(11-19-10-2-9-17-19)18-15(20)8-5-13-3-6-14(16)7-4-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide?
3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide has a molecular weight of 275.33 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide is sourced from PubChem (CID 38610317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).