(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide

C21H22FN3O — CID 26411426

IUPAC(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
SMILESCCn1cc(CNC(=O)C[C@H](c2ccccc2)c2ccccc2F)cn1
InChIInChI=1S/C21H22FN3O/c1-2-25-15-16(14-24-25)13-23-21(26)12-19(17-8-4-3-5-9-17)18-10-6-7-11-20(18)22/h3-11,14-15,19H,2,12-13H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyGACDUWFZFURTGS-LJQANCHMSA-N
MW351.43 g/mol
LogP3.88
Rot. Bonds7

About (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide

(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide (PubChem CID 26411426) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
PubChem CID26411426
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
SMILESCCn1cc(CNC(=O)C[C@H](c2ccccc2)c2ccccc2F)cn1
InChIInChI=1S/C21H22FN3O/c1-2-25-15-16(14-24-25)13-23-21(26)12-19(17-8-4-3-5-9-17)18-10-6-7-11-20(18)22/h3-11,14-15,19H,2,12-13H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyGACDUWFZFURTGS-LJQANCHMSA-N
XLogP3.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 42596150
3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 45228340
N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide
CID 62127943
methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate
CID 62128125
3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42801286
(3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide
CID 136831938
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
CID 19624929
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 72850665
(3R)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 97270529
3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 45207071
(3S)-3-(2-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 98773661
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide?
The IUPAC name of (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide (CID 26411426) is (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide.
What is the SMILES notation for (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide?
The canonical SMILES for (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide is CCn1cc(CNC(=O)C[C@H](c2ccccc2)c2ccccc2F)cn1.
What is the InChIKey of (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide?
The InChIKey is GACDUWFZFURTGS-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-2-25-15-16(14-24-25)13-23-21(26)12-19(17-8-4-3-5-9-17)18-10-6-7-11-20(18)22/h3-11,14-15,19H,2,12-13H2,1H3,(H,23,26)/t19-/m1/s1.
What are the key properties of (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide?
(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide has a molecular weight of 351.43 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 26411426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).