5-tert-butyl-1H-pyrazol-3-amine

C7H13N3 — CID 522787

IUPAC5-tert-butyl-1H-pyrazol-3-amine
SMILESCC(C)(C)c1cc(N)n[nH]1
InChIInChI=1S/C7H13N3/c1-7(2,3)5-4-6(8)10-9-5/h4H,1-3H3,(H3,8,9,10)
InChIKeyZHBXGHWSVIBUCQ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.29
Rot. Bonds

About 5-tert-butyl-1H-pyrazol-3-amine

5-tert-butyl-1H-pyrazol-3-amine (PubChem CID 522787) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-tert-butyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-1H-pyrazol-3-amine
PubChem CID522787
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name5-tert-butyl-1H-pyrazol-3-amine
SMILESCC(C)(C)c1cc(N)n[nH]1
InChIInChI=1S/C7H13N3/c1-7(2,3)5-4-6(8)10-9-5/h4H,1-3H3,(H3,8,9,10)
InChIKeyZHBXGHWSVIBUCQ-UHFFFAOYSA-N
XLogP1.29
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1H-pyrazol-3-amine?
The IUPAC name of 5-tert-butyl-1H-pyrazol-3-amine (CID 522787) is 5-tert-butyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-tert-butyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-tert-butyl-1H-pyrazol-3-amine is CC(C)(C)c1cc(N)n[nH]1.
What is the InChIKey of 5-tert-butyl-1H-pyrazol-3-amine?
The InChIKey is ZHBXGHWSVIBUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-7(2,3)5-4-6(8)10-9-5/h4H,1-3H3,(H3,8,9,10).
What are the key properties of 5-tert-butyl-1H-pyrazol-3-amine?
5-tert-butyl-1H-pyrazol-3-amine has a molecular weight of 139.20 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1H-pyrazol-3-amine is sourced from PubChem (CID 522787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).