2-butylpyrazol-3-amine

C7H13N3 — CID 642216

IUPAC2-butylpyrazol-3-amine
SMILESCCCCn1nccc1N
InChIInChI=1S/C7H13N3/c1-2-3-6-10-7(8)4-5-9-10/h4-5H,2-3,6,8H2,1H3
InChIKeyIQMRCZGRXUSTNT-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.27
Rot. Bonds3

About 2-butylpyrazol-3-amine

2-butylpyrazol-3-amine (PubChem CID 642216) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-butylpyrazol-3-amine.

Molecular Properties

Compound Name2-butylpyrazol-3-amine
PubChem CID642216
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-butylpyrazol-3-amine
SMILESCCCCn1nccc1N
InChIInChI=1S/C7H13N3/c1-2-3-6-10-7(8)4-5-9-10/h4-5H,2-3,6,8H2,1H3
InChIKeyIQMRCZGRXUSTNT-UHFFFAOYSA-N
XLogP1.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butylpyrazol-3-amine?
The IUPAC name of 2-butylpyrazol-3-amine (CID 642216) is 2-butylpyrazol-3-amine.
What is the SMILES notation for 2-butylpyrazol-3-amine?
The canonical SMILES for 2-butylpyrazol-3-amine is CCCCn1nccc1N.
What is the InChIKey of 2-butylpyrazol-3-amine?
The InChIKey is IQMRCZGRXUSTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-2-3-6-10-7(8)4-5-9-10/h4-5H,2-3,6,8H2,1H3.
What are the key properties of 2-butylpyrazol-3-amine?
2-butylpyrazol-3-amine has a molecular weight of 139.20 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylpyrazol-3-amine is sourced from PubChem (CID 642216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).