2-[2-[(Z)-but-2-en-2-yl]iminopropyl]pyrazol-3-amine;ethane

C12H22N4 — CID 142971522

IUPAC2-[2-[(Z)-but-2-en-2-yl]iminopropyl]pyrazol-3-amine;ethane
SMILESC/C=C(C)\N=C(/C)Cn1nccc1N.CC
InChIInChI=1S/C10H16N4.C2H6/c1-4-8(2)13-9(3)7-14-10(11)5-6-12-14;1-2/h4-6H,7,11H2,1-3H3;1-2H3/b8-4-,13-9+;
InChIKeyBBYIHGHILLNJNT-CNGHIFDSSA-N
MW222.34 g/mol
LogP2.88
Rot. Bonds3

About 2-[2-[(Z)-but-2-en-2-yl]iminopropyl]pyrazol-3-amine;ethane

2-[2-[(Z)-but-2-en-2-yl]iminopropyl]pyrazol-3-amine;ethane (PubChem CID 142971522) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-[2-[(Z)-but-2-en-2-yl]iminopropyl]pyrazol-3-amine;ethane.

Molecular Properties

Compound Name2-[2-[(Z)-but-2-en-2-yl]iminopropyl]pyrazol-3-amine;ethane
PubChem CID142971522
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-[2-[(Z)-but-2-en-2-yl]iminopropyl]pyrazol-3-amine;ethane
SMILESC/C=C(C)\N=C(/C)Cn1nccc1N.CC
InChIInChI=1S/C10H16N4.C2H6/c1-4-8(2)13-9(3)7-14-10(11)5-6-12-14;1-2/h4-6H,7,11H2,1-3H3;1-2H3/b8-4-,13-9+;
InChIKeyBBYIHGHILLNJNT-CNGHIFDSSA-N
XLogP2.88
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-but-2-en-2-yl]iminopropyl]pyrazol-3-amine;ethane?
The IUPAC name of 2-[2-[(Z)-but-2-en-2-yl]iminopropyl]pyrazol-3-amine;ethane (CID 142971522) is 2-[2-[(Z)-but-2-en-2-yl]iminopropyl]pyrazol-3-amine;ethane.
What is the SMILES notation for 2-[2-[(Z)-but-2-en-2-yl]iminopropyl]pyrazol-3-amine;ethane?
The canonical SMILES for 2-[2-[(Z)-but-2-en-2-yl]iminopropyl]pyrazol-3-amine;ethane is C/C=C(C)\N=C(/C)Cn1nccc1N.CC.
What is the InChIKey of 2-[2-[(Z)-but-2-en-2-yl]iminopropyl]pyrazol-3-amine;ethane?
The InChIKey is BBYIHGHILLNJNT-CNGHIFDSSA-N. The full InChI is InChI=1S/C10H16N4.C2H6/c1-4-8(2)13-9(3)7-14-10(11)5-6-12-14;1-2/h4-6H,7,11H2,1-3H3;1-2H3/b8-4-,13-9+;.
What are the key properties of 2-[2-[(Z)-but-2-en-2-yl]iminopropyl]pyrazol-3-amine;ethane?
2-[2-[(Z)-but-2-en-2-yl]iminopropyl]pyrazol-3-amine;ethane has a molecular weight of 222.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-but-2-en-2-yl]iminopropyl]pyrazol-3-amine;ethane is sourced from PubChem (CID 142971522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).