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

C8H11N3O3 — CID 61018204

IUPAC2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
SMILESCCC(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C8H11N3O3/c1-2-7(12)10-6-3-9-11(4-6)5-8(13)14/h3-4H,2,5H2,1H3,(H,10,12)(H,13,14)
InChIKeyRXEWPOSCIHSNBI-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.32
Rot. Bonds4

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

2-[4-(propanoylamino)pyrazol-1-yl]acetic acid (PubChem CID 61018204) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[4-(propanoylamino)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
PubChem CID61018204
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
SMILESCCC(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C8H11N3O3/c1-2-7(12)10-6-3-9-11(4-6)5-8(13)14/h3-4H,2,5H2,1H3,(H,10,12)(H,13,14)
InChIKeyRXEWPOSCIHSNBI-UHFFFAOYSA-N
XLogP0.32
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(methoxymethyl)pyrazol-4-yl]propanamide
CID 19411093
2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid
CID 55121256
2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
CID 61285548
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
2-[4-(octylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115569282
2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid
CID 61018489
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
CID 103513201
2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61184087
2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289
2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid
CID 61017978
2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid
CID 61285745
2-[4-(3,5,5-trimethylhexanoylamino)pyrazol-1-yl]acetic acid
CID 61018088

Frequently Asked Questions

What is the IUPAC name of 2-[4-(propanoylamino)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(propanoylamino)pyrazol-1-yl]acetic acid (CID 61018204) is 2-[4-(propanoylamino)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(propanoylamino)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(propanoylamino)pyrazol-1-yl]acetic acid is CCC(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(propanoylamino)pyrazol-1-yl]acetic acid?
The InChIKey is RXEWPOSCIHSNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-7(12)10-6-3-9-11(4-6)5-8(13)14/h3-4H,2,5H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-[4-(propanoylamino)pyrazol-1-yl]acetic acid?
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid has a molecular weight of 197.19 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propanoylamino)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61018204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).