2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid

C15H13F2N3O3 — CID 124569997

IUPAC2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)n1
InChIInChI=1S/C15H13F2N3O3/c16-8-1-2-9(12(17)5-8)10-6-11(10)15(23)18-13-3-4-20(19-13)7-14(21)22/h1-5,10-11H,6-7H2,(H,21,22)(H,18,19,23)/t10-,11+/m1/s1
InChIKeyMROHATKKSRAKIN-MNOVXSKESA-N
MW321.28 g/mol
LogP1.99
Rot. Bonds5

About 2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 124569997) has the molecular formula C15H13F2N3O3 and a molecular weight of 321.28 g/mol. Its IUPAC name is 2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
PubChem CID124569997
Molecular FormulaC15H13F2N3O3
Molecular Weight321.28 g/mol
Exact Mass321.09
IUPAC Name2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)n1
InChIInChI=1S/C15H13F2N3O3/c16-8-1-2-9(12(17)5-8)10-6-11(10)15(23)18-13-3-4-20(19-13)7-14(21)22/h1-5,10-11H,6-7H2,(H,21,22)(H,18,19,23)/t10-,11+/m1/s1
InChIKeyMROHATKKSRAKIN-MNOVXSKESA-N
XLogP1.99
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 124570042
2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 129380619
2-[3-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 124569905
2-[3-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125152855
2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 119230729
4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 124700868
N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide
CID 19286942
2-[3-(thiane-4-carbonylamino)pyrazol-1-yl]acetic acid
CID 120524678
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19407415
cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
CID 95979961
3-[[3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]phenyl]methylsulfanyl]propanoic acid
CID 119241222
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97076812

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid (CID 124569997) is 2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)n1.
What is the InChIKey of 2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is MROHATKKSRAKIN-MNOVXSKESA-N. The full InChI is InChI=1S/C15H13F2N3O3/c16-8-1-2-9(12(17)5-8)10-6-11(10)15(23)18-13-3-4-20(19-13)7-14(21)22/h1-5,10-11H,6-7H2,(H,21,22)(H,18,19,23)/t10-,11+/m1/s1.
What are the key properties of 2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 321.28 g/mol, XLogP of 1.99, 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-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 124569997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).