2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid

C10H14N4O4 — CID 61018489

IUPAC2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid
SMILESCC(=O)NC(C)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C10H14N4O4/c1-6(12-7(2)15)10(18)13-8-3-11-14(4-8)5-9(16)17/h3-4,6H,5H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyFQFIGGZEWBEOHU-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.57
Rot. Bonds5

About 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid

2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid (PubChem CID 61018489) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid
PubChem CID61018489
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid
SMILESCC(=O)NC(C)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C10H14N4O4/c1-6(12-7(2)15)10(18)13-8-3-11-14(4-8)5-9(16)17/h3-4,6H,5H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyFQFIGGZEWBEOHU-UHFFFAOYSA-N
XLogP-0.57
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate
CID 54904242
2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
CID 103513201
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid
CID 61017978
2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 76897580
2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid
CID 61285745
2-[4-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 102907100
2-[4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]pyrazol-1-yl]acetic acid
CID 107471894
2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid
CID 55121256
2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61195310
2-[4-(3,5,5-trimethylhexanoylamino)pyrazol-1-yl]acetic acid
CID 61018088

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid (CID 61018489) is 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid is CC(=O)NC(C)C(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid?
The InChIKey is FQFIGGZEWBEOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-6(12-7(2)15)10(18)13-8-3-11-14(4-8)5-9(16)17/h3-4,6H,5H2,1-2H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid?
2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid has a molecular weight of 254.25 g/mol, XLogP of -0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61018489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).