N-[2-[(E)-2-(1-ethylpyrazol-4-yl)prop-1-enyl]pyrazol-3-yl]methanimine

C12H15N5 — CID 174177974

IUPACN-[2-[(E)-2-(1-ethylpyrazol-4-yl)prop-1-enyl]pyrazol-3-yl]methanimine
SMILESC=Nc1ccnn1/C=C(\C)c1cnn(CC)c1
InChIInChI=1S/C12H15N5/c1-4-16-9-11(7-15-16)10(2)8-17-12(13-3)5-6-14-17/h5-9H,3-4H2,1-2H3/b10-8+
InChIKeyXSTCJJKAJRPBRL-CSKARUKUSA-N
MW229.29 g/mol
LogP2.45
Rot. Bonds4

About N-[2-[(E)-2-(1-ethylpyrazol-4-yl)prop-1-enyl]pyrazol-3-yl]methanimine

N-[2-[(E)-2-(1-ethylpyrazol-4-yl)prop-1-enyl]pyrazol-3-yl]methanimine (PubChem CID 174177974) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-[2-[(E)-2-(1-ethylpyrazol-4-yl)prop-1-enyl]pyrazol-3-yl]methanimine.

Molecular Properties

Compound NameN-[2-[(E)-2-(1-ethylpyrazol-4-yl)prop-1-enyl]pyrazol-3-yl]methanimine
PubChem CID174177974
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-[2-[(E)-2-(1-ethylpyrazol-4-yl)prop-1-enyl]pyrazol-3-yl]methanimine
SMILESC=Nc1ccnn1/C=C(\C)c1cnn(CC)c1
InChIInChI=1S/C12H15N5/c1-4-16-9-11(7-15-16)10(2)8-17-12(13-3)5-6-14-17/h5-9H,3-4H2,1-2H3/b10-8+
InChIKeyXSTCJJKAJRPBRL-CSKARUKUSA-N
XLogP2.45
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 N-[2-[(E)-2-(1-ethylpyrazol-4-yl)prop-1-enyl]pyrazol-3-yl]methanimine?
The IUPAC name of N-[2-[(E)-2-(1-ethylpyrazol-4-yl)prop-1-enyl]pyrazol-3-yl]methanimine (CID 174177974) is N-[2-[(E)-2-(1-ethylpyrazol-4-yl)prop-1-enyl]pyrazol-3-yl]methanimine.
What is the SMILES notation for N-[2-[(E)-2-(1-ethylpyrazol-4-yl)prop-1-enyl]pyrazol-3-yl]methanimine?
The canonical SMILES for N-[2-[(E)-2-(1-ethylpyrazol-4-yl)prop-1-enyl]pyrazol-3-yl]methanimine is C=Nc1ccnn1/C=C(\C)c1cnn(CC)c1.
What is the InChIKey of N-[2-[(E)-2-(1-ethylpyrazol-4-yl)prop-1-enyl]pyrazol-3-yl]methanimine?
The InChIKey is XSTCJJKAJRPBRL-CSKARUKUSA-N. The full InChI is InChI=1S/C12H15N5/c1-4-16-9-11(7-15-16)10(2)8-17-12(13-3)5-6-14-17/h5-9H,3-4H2,1-2H3/b10-8+.
What are the key properties of N-[2-[(E)-2-(1-ethylpyrazol-4-yl)prop-1-enyl]pyrazol-3-yl]methanimine?
N-[2-[(E)-2-(1-ethylpyrazol-4-yl)prop-1-enyl]pyrazol-3-yl]methanimine has a molecular weight of 229.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-(1-ethylpyrazol-4-yl)prop-1-enyl]pyrazol-3-yl]methanimine is sourced from PubChem (CID 174177974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).