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

C15H14ClN3O3 — CID 119195523

IUPAC2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)C1CC1
InChIInChI=1S/C15H14ClN3O3/c16-11-2-1-3-13(6-11)19-8-10(7-17-19)15(22)18(9-14(20)21)12-4-5-12/h1-3,6-8,12H,4-5,9H2,(H,20,21)
InChIKeyWFFPCAXDWFPDSP-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.21
Rot. Bonds5

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

2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid (PubChem CID 119195523) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid
PubChem CID119195523
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)C1CC1
InChIInChI=1S/C15H14ClN3O3/c16-11-2-1-3-13(6-11)19-8-10(7-17-19)15(22)18(9-14(20)21)12-4-5-12/h1-3,6-8,12H,4-5,9H2,(H,20,21)
InChIKeyWFFPCAXDWFPDSP-UHFFFAOYSA-N
XLogP2.21
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 122146306
1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119532202
N-cyclopropyl-N-(2-hydroxyethyl)-1-phenylpyrazole-4-carboxamide
CID 43576931
2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
CID 120517696
N-(2-bromoethyl)-N-cyclopropyl-1-phenylpyrazole-4-carboxamide
CID 80666261
2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
CID 119194616
2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119200852
1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154739511
3-[[1-(4-chlorophenyl)pyrazole-4-carbonyl]-(oxan-4-yl)amino]propanoic acid
CID 119212309
1-(3-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 55875521
2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid
CID 119194565
1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
CID 110899894

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid (CID 119195523) is 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)C1CC1.
What is the InChIKey of 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid?
The InChIKey is WFFPCAXDWFPDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c16-11-2-1-3-13(6-11)19-8-10(7-17-19)15(22)18(9-14(20)21)12-4-5-12/h1-3,6-8,12H,4-5,9H2,(H,20,21).
What are the key properties of 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid?
2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid has a molecular weight of 319.75 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 119195523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).