2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid

C15H13Cl2N3O3 — CID 124570042

IUPAC2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C15H13Cl2N3O3/c16-11-3-1-2-8(14(11)17)9-6-10(9)15(23)18-12-4-5-20(19-12)7-13(21)22/h1-5,9-10H,6-7H2,(H,21,22)(H,18,19,23)/t9-,10+/m1/s1
InChIKeyGPBMJJLEPLAVIV-ZJUUUORDSA-N
MW354.19 g/mol
LogP3.02
Rot. Bonds5

About 2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 124570042) has the molecular formula C15H13Cl2N3O3 and a molecular weight of 354.19 g/mol. Its IUPAC name is 2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
PubChem CID124570042
Molecular FormulaC15H13Cl2N3O3
Molecular Weight354.19 g/mol
Exact Mass353.03
IUPAC Name2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C15H13Cl2N3O3/c16-11-3-1-2-8(14(11)17)9-6-10(9)15(23)18-12-4-5-20(19-12)7-13(21)22/h1-5,9-10H,6-7H2,(H,21,22)(H,18,19,23)/t9-,10+/m1/s1
InChIKeyGPBMJJLEPLAVIV-ZJUUUORDSA-N
XLogP3.02
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 129380619
2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 124569997
3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704676
2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 119230729
2-[3-(thiane-4-carbonylamino)pyrazol-1-yl]acetic acid
CID 120524678
2-[3-(3,4-dihydro-1H-isochromene-1-carbonylamino)pyrazol-1-yl]acetic acid
CID 119994966
2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide
CID 111661170
trans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 95621020
(2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119238549
2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid
CID 119231000
2-[3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 119230778
trans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide
CID 35526195

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid (CID 124570042) is 2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is GPBMJJLEPLAVIV-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H13Cl2N3O3/c16-11-3-1-2-8(14(11)17)9-6-10(9)15(23)18-12-4-5-20(19-12)7-13(21)22/h1-5,9-10H,6-7H2,(H,21,22)(H,18,19,23)/t9-,10+/m1/s1.
What are the key properties of 2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 354.19 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 124570042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).