N-(2-ethylbut-1-enyl)-2-methylpyrazol-3-amine

C10H17N3 — CID 135253336

IUPACN-(2-ethylbut-1-enyl)-2-methylpyrazol-3-amine
SMILESCCC(=CNc1ccnn1C)CC
InChIInChI=1S/C10H17N3/c1-4-9(5-2)8-11-10-6-7-12-13(10)3/h6-8,11H,4-5H2,1-3H3
InChIKeyVSENPDJIDUGDPK-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.54
Rot. Bonds4

About N-(2-ethylbut-1-enyl)-2-methylpyrazol-3-amine

N-(2-ethylbut-1-enyl)-2-methylpyrazol-3-amine (PubChem CID 135253336) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-(2-ethylbut-1-enyl)-2-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(2-ethylbut-1-enyl)-2-methylpyrazol-3-amine
PubChem CID135253336
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-(2-ethylbut-1-enyl)-2-methylpyrazol-3-amine
SMILESCCC(=CNc1ccnn1C)CC
InChIInChI=1S/C10H17N3/c1-4-9(5-2)8-11-10-6-7-12-13(10)3/h6-8,11H,4-5H2,1-3H3
InChIKeyVSENPDJIDUGDPK-UHFFFAOYSA-N
XLogP2.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbut-1-enyl)-2-methylpyrazol-3-amine?
The IUPAC name of N-(2-ethylbut-1-enyl)-2-methylpyrazol-3-amine (CID 135253336) is N-(2-ethylbut-1-enyl)-2-methylpyrazol-3-amine.
What is the SMILES notation for N-(2-ethylbut-1-enyl)-2-methylpyrazol-3-amine?
The canonical SMILES for N-(2-ethylbut-1-enyl)-2-methylpyrazol-3-amine is CCC(=CNc1ccnn1C)CC.
What is the InChIKey of N-(2-ethylbut-1-enyl)-2-methylpyrazol-3-amine?
The InChIKey is VSENPDJIDUGDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-9(5-2)8-11-10-6-7-12-13(10)3/h6-8,11H,4-5H2,1-3H3.
What are the key properties of N-(2-ethylbut-1-enyl)-2-methylpyrazol-3-amine?
N-(2-ethylbut-1-enyl)-2-methylpyrazol-3-amine has a molecular weight of 179.27 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbut-1-enyl)-2-methylpyrazol-3-amine is sourced from PubChem (CID 135253336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).