(2E)-N-methyl-2-(4-methylidene-2-propan-2-ylpyrazol-3-ylidene)ethanimine

C10H15N3 — CID 177160581

IUPAC(2E)-N-methyl-2-(4-methylidene-2-propan-2-ylpyrazol-3-ylidene)ethanimine
SMILESC=c1cnn(C(C)C)/c1=C/C=N/C
InChIInChI=1S/C10H15N3/c1-8(2)13-10(5-6-11-4)9(3)7-12-13/h5-8H,3H2,1-2,4H3/b10-5+,11-6+
InChIKeyHYJKOPBPGKKDKQ-YOYBCKCWSA-N
MW177.25 g/mol
LogP0.36
Rot. Bonds2

About (2E)-N-methyl-2-(4-methylidene-2-propan-2-ylpyrazol-3-ylidene)ethanimine

(2E)-N-methyl-2-(4-methylidene-2-propan-2-ylpyrazol-3-ylidene)ethanimine (PubChem CID 177160581) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (2E)-N-methyl-2-(4-methylidene-2-propan-2-ylpyrazol-3-ylidene)ethanimine.

Molecular Properties

Compound Name(2E)-N-methyl-2-(4-methylidene-2-propan-2-ylpyrazol-3-ylidene)ethanimine
PubChem CID177160581
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(2E)-N-methyl-2-(4-methylidene-2-propan-2-ylpyrazol-3-ylidene)ethanimine
SMILESC=c1cnn(C(C)C)/c1=C/C=N/C
InChIInChI=1S/C10H15N3/c1-8(2)13-10(5-6-11-4)9(3)7-12-13/h5-8H,3H2,1-2,4H3/b10-5+,11-6+
InChIKeyHYJKOPBPGKKDKQ-YOYBCKCWSA-N
XLogP0.36
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2E)-N-methyl-2-(4-methylidene-2-propan-2-ylpyrazol-3-ylidene)ethanimine?
The IUPAC name of (2E)-N-methyl-2-(4-methylidene-2-propan-2-ylpyrazol-3-ylidene)ethanimine (CID 177160581) is (2E)-N-methyl-2-(4-methylidene-2-propan-2-ylpyrazol-3-ylidene)ethanimine.
What is the SMILES notation for (2E)-N-methyl-2-(4-methylidene-2-propan-2-ylpyrazol-3-ylidene)ethanimine?
The canonical SMILES for (2E)-N-methyl-2-(4-methylidene-2-propan-2-ylpyrazol-3-ylidene)ethanimine is C=c1cnn(C(C)C)/c1=C/C=N/C.
What is the InChIKey of (2E)-N-methyl-2-(4-methylidene-2-propan-2-ylpyrazol-3-ylidene)ethanimine?
The InChIKey is HYJKOPBPGKKDKQ-YOYBCKCWSA-N. The full InChI is InChI=1S/C10H15N3/c1-8(2)13-10(5-6-11-4)9(3)7-12-13/h5-8H,3H2,1-2,4H3/b10-5+,11-6+.
What are the key properties of (2E)-N-methyl-2-(4-methylidene-2-propan-2-ylpyrazol-3-ylidene)ethanimine?
(2E)-N-methyl-2-(4-methylidene-2-propan-2-ylpyrazol-3-ylidene)ethanimine has a molecular weight of 177.25 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-2-(4-methylidene-2-propan-2-ylpyrazol-3-ylidene)ethanimine is sourced from PubChem (CID 177160581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).