N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide

C15H17FN4O2 — CID 94828484

IUPACN-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
SMILESCCNC(=O)[C@H](C)NC(=O)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C15H17FN4O2/c1-3-17-14(21)10(2)19-15(22)11-8-18-20(9-11)13-7-5-4-6-12(13)16/h4-10H,3H2,1-2H3,(H,17,21)(H,19,22)/t10-/m0/s1
InChIKeyONFFHYIZERPGNM-JTQLQIEISA-N
MW304.32 g/mol
LogP1.27
Rot. Bonds5

About N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide

N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 94828484) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
PubChem CID94828484
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC NameN-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
SMILESCCNC(=O)[C@H](C)NC(=O)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C15H17FN4O2/c1-3-17-14(21)10(2)19-15(22)11-8-18-20(9-11)13-7-5-4-6-12(13)16/h4-10H,3H2,1-2H3,(H,17,21)(H,19,22)/t10-/m0/s1
InChIKeyONFFHYIZERPGNM-JTQLQIEISA-N
XLogP1.27
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[1-(2-fluorophenyl)pyrazole-4-carbonyl]amino]heptanoic acid
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1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
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1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 134608302
1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 75526443
1-ethyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 71921815
N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 95284464
N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 94828526
2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]butanoic acid
CID 119223849
1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46451658
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 86885371
2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide
CID 125176662
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
CID 94828462

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide (CID 94828484) is N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide is CCNC(=O)[C@H](C)NC(=O)c1cnn(-c2ccccc2F)c1.
What is the InChIKey of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is ONFFHYIZERPGNM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-3-17-14(21)10(2)19-15(22)11-8-18-20(9-11)13-7-5-4-6-12(13)16/h4-10H,3H2,1-2H3,(H,17,21)(H,19,22)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide?
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 94828484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).