2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid

C15H15FN4O4 — CID 171539676

IUPAC2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid
SMILESNC(=O)CCNC(=O)c1cn[nH]c1-c1cc(CC(=O)O)ccc1F
InChIInChI=1S/C15H15FN4O4/c16-11-2-1-8(6-13(22)23)5-9(11)14-10(7-19-20-14)15(24)18-4-3-12(17)21/h1-2,5,7H,3-4,6H2,(H2,17,21)(H,18,24)(H,19,20)(H,22,23)
InChIKeyIQKFNBYYERGAJG-UHFFFAOYSA-N
MW334.31 g/mol
LogP0.45
Rot. Bonds7

About 2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid

2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid (PubChem CID 171539676) has the molecular formula C15H15FN4O4 and a molecular weight of 334.31 g/mol. Its IUPAC name is 2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid
PubChem CID171539676
Molecular FormulaC15H15FN4O4
Molecular Weight334.31 g/mol
Exact Mass334.11
IUPAC Name2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid
SMILESNC(=O)CCNC(=O)c1cn[nH]c1-c1cc(CC(=O)O)ccc1F
InChIInChI=1S/C15H15FN4O4/c16-11-2-1-8(6-13(22)23)5-9(11)14-10(7-19-20-14)15(24)18-4-3-12(17)21/h1-2,5,7H,3-4,6H2,(H2,17,21)(H,18,24)(H,19,20)(H,22,23)
InChIKeyIQKFNBYYERGAJG-UHFFFAOYSA-N
XLogP0.45
TPSA138.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539134
N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540373
N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide
CID 171539842
N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540110
N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540349
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 119432488
N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 119628857
5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide
CID 97051849
chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide
CID 171540298
5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71856768
N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
CID 43553754

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid?
The IUPAC name of 2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid (CID 171539676) is 2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid?
The canonical SMILES for 2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid is NC(=O)CCNC(=O)c1cn[nH]c1-c1cc(CC(=O)O)ccc1F.
What is the InChIKey of 2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid?
The InChIKey is IQKFNBYYERGAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O4/c16-11-2-1-8(6-13(22)23)5-9(11)14-10(7-19-20-14)15(24)18-4-3-12(17)21/h1-2,5,7H,3-4,6H2,(H2,17,21)(H,18,24)(H,19,20)(H,22,23).
What are the key properties of 2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid?
2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid has a molecular weight of 334.31 g/mol, XLogP of 0.45, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid is sourced from PubChem (CID 171539676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).