3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid

C15H16FN3O3 — CID 119176883

IUPAC3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid
SMILESCCc1c(C(=O)NCCC(=O)O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O3/c1-2-13-12(15(22)17-8-7-14(20)21)9-18-19(13)11-5-3-10(16)4-6-11/h3-6,9H,2,7-8H2,1H3,(H,17,22)(H,20,21)
InChIKeyDDTGBUMIYPFHPM-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.78
Rot. Bonds6

About 3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid

3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid (PubChem CID 119176883) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid
PubChem CID119176883
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid
SMILESCCc1c(C(=O)NCCC(=O)O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O3/c1-2-13-12(15(22)17-8-7-14(20)21)9-18-19(13)11-5-3-10(16)4-6-11/h3-6,9H,2,7-8H2,1H3,(H,17,22)(H,20,21)
InChIKeyDDTGBUMIYPFHPM-UHFFFAOYSA-N
XLogP1.78
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241427
N-(3-aminopropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119406144
N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31889145
N-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 55952465
5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide
CID 31891063
2-[[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119252730
1-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylurea
CID 86835872
5-ethyl-1-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947390
5-ethyl-1-(4-fluorophenyl)-N'-(2-hydroxybenzoyl)pyrazole-4-carbohydrazide
CID 31978367
5-ethyl-1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119511358
5-ethyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46577228
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 46588856

Frequently Asked Questions

What is the IUPAC name of 3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid (CID 119176883) is 3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid is CCc1c(C(=O)NCCC(=O)O)cnn1-c1ccc(F)cc1.
What is the InChIKey of 3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid?
The InChIKey is DDTGBUMIYPFHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-2-13-12(15(22)17-8-7-14(20)21)9-18-19(13)11-5-3-10(16)4-6-11/h3-6,9H,2,7-8H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid?
3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid has a molecular weight of 305.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119176883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).