5-but-1-en-2-yl-N-ethyl-1H-pyrazol-3-amine

C9H15N3 — CID 155110720

IUPAC5-but-1-en-2-yl-N-ethyl-1H-pyrazol-3-amine
SMILESC=C(CC)c1cc(NCC)n[nH]1
InChIInChI=1S/C9H15N3/c1-4-7(3)8-6-9(10-5-2)12-11-8/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyWIJFCKNKVQCWSG-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.26
Rot. Bonds4

About 5-but-1-en-2-yl-N-ethyl-1H-pyrazol-3-amine

5-but-1-en-2-yl-N-ethyl-1H-pyrazol-3-amine (PubChem CID 155110720) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-but-1-en-2-yl-N-ethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-but-1-en-2-yl-N-ethyl-1H-pyrazol-3-amine
PubChem CID155110720
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-but-1-en-2-yl-N-ethyl-1H-pyrazol-3-amine
SMILESC=C(CC)c1cc(NCC)n[nH]1
InChIInChI=1S/C9H15N3/c1-4-7(3)8-6-9(10-5-2)12-11-8/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyWIJFCKNKVQCWSG-UHFFFAOYSA-N
XLogP2.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-but-1-en-2-yl-N-ethyl-1H-pyrazol-3-amine?
The IUPAC name of 5-but-1-en-2-yl-N-ethyl-1H-pyrazol-3-amine (CID 155110720) is 5-but-1-en-2-yl-N-ethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-but-1-en-2-yl-N-ethyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-but-1-en-2-yl-N-ethyl-1H-pyrazol-3-amine is C=C(CC)c1cc(NCC)n[nH]1.
What is the InChIKey of 5-but-1-en-2-yl-N-ethyl-1H-pyrazol-3-amine?
The InChIKey is WIJFCKNKVQCWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-7(3)8-6-9(10-5-2)12-11-8/h6H,3-5H2,1-2H3,(H2,10,11,12).
What are the key properties of 5-but-1-en-2-yl-N-ethyl-1H-pyrazol-3-amine?
5-but-1-en-2-yl-N-ethyl-1H-pyrazol-3-amine has a molecular weight of 165.24 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-1-en-2-yl-N-ethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 155110720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).