2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid

C16H17N3O3 — CID 119195118

IUPAC2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid
SMILESCc1nn(-c2ccccc2)cc1C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C16H17N3O3/c1-11-14(9-19(17-11)13-5-3-2-4-6-13)16(22)18(10-15(20)21)12-7-8-12/h2-6,9,12H,7-8,10H2,1H3,(H,20,21)
InChIKeyKKZFOQNOERGFFE-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.87
Rot. Bonds5

About 2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid

2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid (PubChem CID 119195118) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid
PubChem CID119195118
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid
SMILESCc1nn(-c2ccccc2)cc1C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C16H17N3O3/c1-11-14(9-19(17-11)13-5-3-2-4-6-13)16(22)18(10-15(20)21)12-7-8-12/h2-6,9,12H,7-8,10H2,1H3,(H,20,21)
InChIKeyKKZFOQNOERGFFE-UHFFFAOYSA-N
XLogP1.87
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methyl-1-phenylpyrazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 119193123
2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 60827395
3-[methyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119232920
2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid
CID 154740857
2-[cyclopropyl-(5-methyl-1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 119194677
N-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119583661
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
CID 120517700
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 99698360
2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 119213678
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 45285661
2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
CID 120517696
2-[cyclopropyl-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]acetic acid
CID 119194785

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid (CID 119195118) is 2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid is Cc1nn(-c2ccccc2)cc1C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is KKZFOQNOERGFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-14(9-19(17-11)13-5-3-2-4-6-13)16(22)18(10-15(20)21)12-7-8-12/h2-6,9,12H,7-8,10H2,1H3,(H,20,21).
What are the key properties of 2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid?
2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 299.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 119195118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).