N-(3-cyanophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide

C15H14F3N5O — CID 75451888

IUPACN-(3-cyanophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
SMILESCC(Nc1ccn(CC(F)(F)F)n1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H14F3N5O/c1-10(14(24)21-12-4-2-3-11(7-12)8-19)20-13-5-6-23(22-13)9-15(16,17)18/h2-7,10H,9H2,1H3,(H,20,22)(H,21,24)
InChIKeyBDGGHDJITHVSOU-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.76
Rot. Bonds5

About N-(3-cyanophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide

N-(3-cyanophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide (PubChem CID 75451888) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
PubChem CID75451888
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC NameN-(3-cyanophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
SMILESCC(Nc1ccn(CC(F)(F)F)n1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H14F3N5O/c1-10(14(24)21-12-4-2-3-11(7-12)8-19)20-13-5-6-23(22-13)9-15(16,17)18/h2-7,10H,9H2,1H3,(H,20,22)(H,21,24)
InChIKeyBDGGHDJITHVSOU-UHFFFAOYSA-N
XLogP2.76
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 43176832
N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309828
N-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9245501
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
(2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide
CID 7509535
N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide
CID 17397309
N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853412
(2S)-2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)propanamide
CID 7845394
(2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40529318
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565
2-(3-cyanoanilino)-N-propylpropanamide
CID 43087365

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide?
The IUPAC name of N-(3-cyanophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide (CID 75451888) is N-(3-cyanophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide is CC(Nc1ccn(CC(F)(F)F)n1)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide?
The InChIKey is BDGGHDJITHVSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c1-10(14(24)21-12-4-2-3-11(7-12)8-19)20-13-5-6-23(22-13)9-15(16,17)18/h2-7,10H,9H2,1H3,(H,20,22)(H,21,24).
What are the key properties of N-(3-cyanophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide?
N-(3-cyanophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide has a molecular weight of 337.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide is sourced from PubChem (CID 75451888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).