N-[(1E)-2-methyl-1-(5-methylidene-1H-pyrazol-4-ylidene)propyl]ethanimine

C10H15N3 — CID 166983636

IUPACN-[(1E)-2-methyl-1-(5-methylidene-1H-pyrazol-4-ylidene)propyl]ethanimine
SMILESC=c1[nH]nc/c1=C(/N=C/C)C(C)C
InChIInChI=1S/C10H15N3/c1-5-11-10(7(2)3)9-6-12-13-8(9)4/h5-7,13H,4H2,1-3H3/b10-9-,11-5+
InChIKeyAXABGKDRERNVHS-GTEVZREVSA-N
MW177.25 g/mol
LogP0.67
Rot. Bonds2

About N-[(1E)-2-methyl-1-(5-methylidene-1H-pyrazol-4-ylidene)propyl]ethanimine

N-[(1E)-2-methyl-1-(5-methylidene-1H-pyrazol-4-ylidene)propyl]ethanimine (PubChem CID 166983636) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(1E)-2-methyl-1-(5-methylidene-1H-pyrazol-4-ylidene)propyl]ethanimine.

Molecular Properties

Compound NameN-[(1E)-2-methyl-1-(5-methylidene-1H-pyrazol-4-ylidene)propyl]ethanimine
PubChem CID166983636
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-[(1E)-2-methyl-1-(5-methylidene-1H-pyrazol-4-ylidene)propyl]ethanimine
SMILESC=c1[nH]nc/c1=C(/N=C/C)C(C)C
InChIInChI=1S/C10H15N3/c1-5-11-10(7(2)3)9-6-12-13-8(9)4/h5-7,13H,4H2,1-3H3/b10-9-,11-5+
InChIKeyAXABGKDRERNVHS-GTEVZREVSA-N
XLogP0.67
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(1E)-2-methyl-1-(5-methylidene-1H-pyrazol-4-ylidene)propyl]ethanimine?
The IUPAC name of N-[(1E)-2-methyl-1-(5-methylidene-1H-pyrazol-4-ylidene)propyl]ethanimine (CID 166983636) is N-[(1E)-2-methyl-1-(5-methylidene-1H-pyrazol-4-ylidene)propyl]ethanimine.
What is the SMILES notation for N-[(1E)-2-methyl-1-(5-methylidene-1H-pyrazol-4-ylidene)propyl]ethanimine?
The canonical SMILES for N-[(1E)-2-methyl-1-(5-methylidene-1H-pyrazol-4-ylidene)propyl]ethanimine is C=c1[nH]nc/c1=C(/N=C/C)C(C)C.
What is the InChIKey of N-[(1E)-2-methyl-1-(5-methylidene-1H-pyrazol-4-ylidene)propyl]ethanimine?
The InChIKey is AXABGKDRERNVHS-GTEVZREVSA-N. The full InChI is InChI=1S/C10H15N3/c1-5-11-10(7(2)3)9-6-12-13-8(9)4/h5-7,13H,4H2,1-3H3/b10-9-,11-5+.
What are the key properties of N-[(1E)-2-methyl-1-(5-methylidene-1H-pyrazol-4-ylidene)propyl]ethanimine?
N-[(1E)-2-methyl-1-(5-methylidene-1H-pyrazol-4-ylidene)propyl]ethanimine has a molecular weight of 177.25 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-2-methyl-1-(5-methylidene-1H-pyrazol-4-ylidene)propyl]ethanimine is sourced from PubChem (CID 166983636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).