2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid

C15H14ClN3O3 — CID 119231028

IUPAC2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C15H14ClN3O3/c16-11-3-1-2-10(8-11)15(5-6-15)14(22)17-12-4-7-19(18-12)9-13(20)21/h1-4,7-8H,5-6,9H2,(H,20,21)(H,17,18,22)
InChIKeyBYEYMSQMBNFDAJ-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.29
Rot. Bonds5

About 2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 119231028) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
PubChem CID119231028
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C15H14ClN3O3/c16-11-3-1-2-10(8-11)15(5-6-15)14(22)17-12-4-7-19(18-12)9-13(20)21/h1-4,7-8H,5-6,9H2,(H,20,21)(H,17,18,22)
InChIKeyBYEYMSQMBNFDAJ-UHFFFAOYSA-N
XLogP2.29
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 119230634
2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 126786946
2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 119231223
2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224522
1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 56812614
N-(5-acetamido-2-pyridinyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 139002279
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439726
1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide
CID 47088976

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid (CID 119231028) is 2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is BYEYMSQMBNFDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c16-11-3-1-2-10(8-11)15(5-6-15)14(22)17-12-4-7-19(18-12)9-13(20)21/h1-4,7-8H,5-6,9H2,(H,20,21)(H,17,18,22).
What are the key properties of 2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 319.75 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119231028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).