2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid

C16H16ClN3O3 — CID 120517700

IUPAC2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
SMILESCc1cn(-c2ccccc2Cl)nc1C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C16H16ClN3O3/c1-10-8-20(13-5-3-2-4-12(13)17)18-15(10)16(23)19(9-14(21)22)11-6-7-11/h2-5,8,11H,6-7,9H2,1H3,(H,21,22)
InChIKeyZDGIAIPNHOIMDV-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.52
Rot. Bonds5

About 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid

2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid (PubChem CID 120517700) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
PubChem CID120517700
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
SMILESCc1cn(-c2ccccc2Cl)nc1C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C16H16ClN3O3/c1-10-8-20(13-5-3-2-4-12(13)17)18-15(10)16(23)19(9-14(21)22)11-6-7-11/h2-5,8,11H,6-7,9H2,1H3,(H,21,22)
InChIKeyZDGIAIPNHOIMDV-UHFFFAOYSA-N
XLogP2.52
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid
CID 120519872
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid
CID 120521274
[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 126767010
2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 119195118
2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119194581
N-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide
CID 126792461
3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea
CID 126769236
2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 60827395
2-[cyclopropyl-(5-methyl-1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 119194677
2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid
CID 54946136
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-3-methylbutanoic acid
CID 120513335
[(2S)-1-acetamidopropan-2-yl] 1-(2-chlorophenyl)-4-methylpyrazole-3-carboxylate
CID 97252014

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid (CID 120517700) is 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid is Cc1cn(-c2ccccc2Cl)nc1C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid?
The InChIKey is ZDGIAIPNHOIMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-10-8-20(13-5-3-2-4-12(13)17)18-15(10)16(23)19(9-14(21)22)11-6-7-11/h2-5,8,11H,6-7,9H2,1H3,(H,21,22).
What are the key properties of 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid?
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid has a molecular weight of 333.78 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 120517700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).