2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid

C7H7F2N3O3 — CID 103513201

IUPAC2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)C(F)F)cn1
InChIInChI=1S/C7H7F2N3O3/c8-6(9)7(15)11-4-1-10-12(2-4)3-5(13)14/h1-2,6H,3H2,(H,11,15)(H,13,14)
InChIKeySHQQIUSYDCNUKC-UHFFFAOYSA-N
MW219.15 g/mol
LogP0.17
Rot. Bonds4

About 2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 103513201) has the molecular formula C7H7F2N3O3 and a molecular weight of 219.15 g/mol. Its IUPAC name is 2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
PubChem CID103513201
Molecular FormulaC7H7F2N3O3
Molecular Weight219.15 g/mol
Exact Mass219.05
IUPAC Name2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)C(F)F)cn1
InChIInChI=1S/C7H7F2N3O3/c8-6(9)7(15)11-4-1-10-12(2-4)3-5(13)14/h1-2,6H,3H2,(H,11,15)(H,13,14)
InChIKeySHQQIUSYDCNUKC-UHFFFAOYSA-N
XLogP0.17
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289
2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 76897580
2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid
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2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
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2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid
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2-[4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]pyrazol-1-yl]acetic acid
CID 107471894
2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
CID 61285548
2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid
CID 61017978
2-[4-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 102907100
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61195310
2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid
CID 55121256

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid (CID 103513201) is 2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(NC(=O)C(F)F)cn1.
What is the InChIKey of 2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is SHQQIUSYDCNUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O3/c8-6(9)7(15)11-4-1-10-12(2-4)3-5(13)14/h1-2,6H,3H2,(H,11,15)(H,13,14).
What are the key properties of 2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 219.15 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 103513201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).