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

C15H15N3O3 — CID 60827395

IUPAC2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccn(-c2ccccc2)n1)C1CC1
InChIInChI=1S/C15H15N3O3/c19-14(20)10-17(11-6-7-11)15(21)13-8-9-18(16-13)12-4-2-1-3-5-12/h1-5,8-9,11H,6-7,10H2,(H,19,20)
InChIKeyPOWFSQQODFMQEA-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.56
Rot. Bonds5

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

2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid (PubChem CID 60827395) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid
PubChem CID60827395
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccn(-c2ccccc2)n1)C1CC1
InChIInChI=1S/C15H15N3O3/c19-14(20)10-17(11-6-7-11)15(21)13-8-9-18(16-13)12-4-2-1-3-5-12/h1-5,8-9,11H,6-7,10H2,(H,19,20)
InChIKeyPOWFSQQODFMQEA-UHFFFAOYSA-N
XLogP1.56
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119194581
2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 119195118
2-[cyclopropyl-(5-methyl-1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 119194677
2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119195396
3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
CID 60988552
2-[cyclopropyl-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]acetic acid
CID 119194785
2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
CID 119194616
N-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 47850677
2-[cyclopropyl(quinoline-2-carbonyl)amino]acetic acid
CID 60825209
2-[oxan-4-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]acetic acid
CID 126792181
2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
CID 120517696
ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid (CID 60827395) is 2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)c1ccn(-c2ccccc2)n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid?
The InChIKey is POWFSQQODFMQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(20)10-17(11-6-7-11)15(21)13-8-9-18(16-13)12-4-2-1-3-5-12/h1-5,8-9,11H,6-7,10H2,(H,19,20).
What are the key properties of 2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid?
2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 60827395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).