2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid;hydrochloride

C9H16ClN3O2 — CID 71757082

IUPAC2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid;hydrochloride
SMILESCC(C)(C)c1cc(N)n(CC(=O)O)n1.Cl
InChIInChI=1S/C9H15N3O2.ClH/c1-9(2,3)6-4-7(10)12(11-6)5-8(13)14;/h4H,5,10H2,1-3H3,(H,13,14);1H
InChIKeyMVCVHQXBTQLLKI-UHFFFAOYSA-N
MW233.70 g/mol
LogP1.27
Rot. Bonds2

About 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid;hydrochloride

2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid;hydrochloride (PubChem CID 71757082) has the molecular formula C9H16ClN3O2 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid;hydrochloride
PubChem CID71757082
Molecular FormulaC9H16ClN3O2
Molecular Weight233.70 g/mol
Exact Mass233.09
IUPAC Name2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid;hydrochloride
SMILESCC(C)(C)c1cc(N)n(CC(=O)O)n1.Cl
InChIInChI=1S/C9H15N3O2.ClH/c1-9(2,3)6-4-7(10)12(11-6)5-8(13)14;/h4H,5,10H2,1-3H3,(H,13,14);1H
InChIKeyMVCVHQXBTQLLKI-UHFFFAOYSA-N
XLogP1.27
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid;hydrochloride (CID 71757082) is 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid;hydrochloride is CC(C)(C)c1cc(N)n(CC(=O)O)n1.Cl.
What is the InChIKey of 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid;hydrochloride?
The InChIKey is MVCVHQXBTQLLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2.ClH/c1-9(2,3)6-4-7(10)12(11-6)5-8(13)14;/h4H,5,10H2,1-3H3,(H,13,14);1H.
What are the key properties of 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid;hydrochloride?
2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid;hydrochloride has a molecular weight of 233.70 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 71757082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).