2-[(1-ethylpyrazol-4-yl)amino]butanoic acid

C9H15N3O2 — CID 115352400

IUPAC2-[(1-ethylpyrazol-4-yl)amino]butanoic acid
SMILESCCC(Nc1cnn(CC)c1)C(=O)O
InChIInChI=1S/C9H15N3O2/c1-3-8(9(13)14)11-7-5-10-12(4-2)6-7/h5-6,8,11H,3-4H2,1-2H3,(H,13,14)
InChIKeyUBUZXJKFKAKGTI-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.18
Rot. Bonds5

About 2-[(1-ethylpyrazol-4-yl)amino]butanoic acid

2-[(1-ethylpyrazol-4-yl)amino]butanoic acid (PubChem CID 115352400) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)amino]butanoic acid
PubChem CID115352400
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[(1-ethylpyrazol-4-yl)amino]butanoic acid
SMILESCCC(Nc1cnn(CC)c1)C(=O)O
InChIInChI=1S/C9H15N3O2/c1-3-8(9(13)14)11-7-5-10-12(4-2)6-7/h5-6,8,11H,3-4H2,1-2H3,(H,13,14)
InChIKeyUBUZXJKFKAKGTI-UHFFFAOYSA-N
XLogP1.18
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 61209725
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81084939
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
(2R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 79009865
N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine
CID 115922661
2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
CID 79810025
(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965883
2-(1H-pyrazol-4-ylamino)butanoic acid
CID 115352398
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 79800954
(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide
CID 61172285
4-[(1-ethylpyrazol-4-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991438
(2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide
CID 95331748

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]butanoic acid?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]butanoic acid (CID 115352400) is 2-[(1-ethylpyrazol-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)amino]butanoic acid?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)amino]butanoic acid is CCC(Nc1cnn(CC)c1)C(=O)O.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)amino]butanoic acid?
The InChIKey is UBUZXJKFKAKGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-8(9(13)14)11-7-5-10-12(4-2)6-7/h5-6,8,11H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)amino]butanoic acid?
2-[(1-ethylpyrazol-4-yl)amino]butanoic acid has a molecular weight of 197.24 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)amino]butanoic acid is sourced from PubChem (CID 115352400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).