2-[3-(butanoylamino)pyrazol-1-yl]acetic acid

C9H13N3O3 — CID 119230770

IUPAC2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
SMILESCCCC(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C9H13N3O3/c1-2-3-8(13)10-7-4-5-12(11-7)6-9(14)15/h4-5H,2-3,6H2,1H3,(H,14,15)(H,10,11,13)
InChIKeyBDZMLGOFAIHKLJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.71
Rot. Bonds5

About 2-[3-(butanoylamino)pyrazol-1-yl]acetic acid

2-[3-(butanoylamino)pyrazol-1-yl]acetic acid (PubChem CID 119230770) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[3-(butanoylamino)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
PubChem CID119230770
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
SMILESCCCC(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C9H13N3O3/c1-2-3-8(13)10-7-4-5-12(11-7)6-9(14)15/h4-5H,2-3,6H2,1H3,(H,14,15)(H,10,11,13)
InChIKeyBDZMLGOFAIHKLJ-UHFFFAOYSA-N
XLogP0.71
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4,4-dimethylpentanoylamino)pyrazol-1-yl]acetic acid
CID 119230848
2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230901
2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid
CID 119230833
2-[3-(4-ethoxybutanoylamino)pyrazol-1-yl]acetic acid
CID 119231036
2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230672
2-[3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]pyrazol-1-yl]acetic acid
CID 119231174
2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid
CID 119231284
2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119231148
2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 136552840
2-[3-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230904
2-[3-[4-(2-chlorophenoxy)butanoylamino]pyrazol-1-yl]acetic acid
CID 119230619
2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid
CID 119230555

Frequently Asked Questions

What is the IUPAC name of 2-[3-(butanoylamino)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(butanoylamino)pyrazol-1-yl]acetic acid (CID 119230770) is 2-[3-(butanoylamino)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(butanoylamino)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(butanoylamino)pyrazol-1-yl]acetic acid is CCCC(=O)Nc1ccn(CC(=O)O)n1.
What is the InChIKey of 2-[3-(butanoylamino)pyrazol-1-yl]acetic acid?
The InChIKey is BDZMLGOFAIHKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-3-8(13)10-7-4-5-12(11-7)6-9(14)15/h4-5H,2-3,6H2,1H3,(H,14,15)(H,10,11,13).
What are the key properties of 2-[3-(butanoylamino)pyrazol-1-yl]acetic acid?
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(butanoylamino)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119230770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).