2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid

C15H14FN3O3 — CID 119194581

IUPAC2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccn(-c2ccccc2F)n1)C1CC1
InChIInChI=1S/C15H14FN3O3/c16-11-3-1-2-4-13(11)19-8-7-12(17-19)15(22)18(9-14(20)21)10-5-6-10/h1-4,7-8,10H,5-6,9H2,(H,20,21)
InChIKeyJMYRCENHMYOOOA-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.70
Rot. Bonds5

About 2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid

2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid (PubChem CID 119194581) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
PubChem CID119194581
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccn(-c2ccccc2F)n1)C1CC1
InChIInChI=1S/C15H14FN3O3/c16-11-3-1-2-4-13(11)19-8-7-12(17-19)15(22)18(9-14(20)21)10-5-6-10/h1-4,7-8,10H,5-6,9H2,(H,20,21)
InChIKeyJMYRCENHMYOOOA-UHFFFAOYSA-N
XLogP1.70
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 60827395
N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 55651081
2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119195396
3-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119206835
1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide
CID 97241766
N-benzyl-1-(2-fluorophenyl)-N-prop-2-enylpyrazole-3-carboxamide
CID 55669630
6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 119219679
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
CID 120517700
2-[cyclopropyl-(5-methyl-1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 119194677
3-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]-(oxan-4-yl)amino]propanoic acid
CID 119212319
2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119213154

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid (CID 119194581) is 2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid is O=C(O)CN(C(=O)c1ccn(-c2ccccc2F)n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid?
The InChIKey is JMYRCENHMYOOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-11-3-1-2-4-13(11)19-8-7-12(17-19)15(22)18(9-14(20)21)10-5-6-10/h1-4,7-8,10H,5-6,9H2,(H,20,21).
What are the key properties of 2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid?
2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid has a molecular weight of 303.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 119194581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).