2-(1-cyclohexylpyrazol-4-yl)-N-(6-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine

C19H25N3 — CID 129215194

IUPAC2-(1-cyclohexylpyrazol-4-yl)-N-(6-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
SMILESC=C(/C=N/C1=CCCC=C1C)c1cnn(C2CCCCC2)c1
InChIInChI=1S/C19H25N3/c1-15-8-6-7-11-19(15)20-12-16(2)17-13-21-22(14-17)18-9-4-3-5-10-18/h8,11-14,18H,2-7,9-10H2,1H3/b20-12+
InChIKeyCIXDRQCEOOXCMN-UDWIEESQSA-N
MW295.43 g/mol
LogP5.10
Rot. Bonds4

About 2-(1-cyclohexylpyrazol-4-yl)-N-(6-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine

2-(1-cyclohexylpyrazol-4-yl)-N-(6-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine (PubChem CID 129215194) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-4-yl)-N-(6-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-4-yl)-N-(6-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
PubChem CID129215194
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name2-(1-cyclohexylpyrazol-4-yl)-N-(6-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
SMILESC=C(/C=N/C1=CCCC=C1C)c1cnn(C2CCCCC2)c1
InChIInChI=1S/C19H25N3/c1-15-8-6-7-11-19(15)20-12-16(2)17-13-21-22(14-17)18-9-4-3-5-10-18/h8,11-14,18H,2-7,9-10H2,1H3/b20-12+
InChIKeyCIXDRQCEOOXCMN-UDWIEESQSA-N
XLogP5.10
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.10
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 2-(1-cyclohexylpyrazol-4-yl)-N-(6-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine?
The IUPAC name of 2-(1-cyclohexylpyrazol-4-yl)-N-(6-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine (CID 129215194) is 2-(1-cyclohexylpyrazol-4-yl)-N-(6-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-4-yl)-N-(6-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine?
The canonical SMILES for 2-(1-cyclohexylpyrazol-4-yl)-N-(6-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine is C=C(/C=N/C1=CCCC=C1C)c1cnn(C2CCCCC2)c1.
What is the InChIKey of 2-(1-cyclohexylpyrazol-4-yl)-N-(6-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine?
The InChIKey is CIXDRQCEOOXCMN-UDWIEESQSA-N. The full InChI is InChI=1S/C19H25N3/c1-15-8-6-7-11-19(15)20-12-16(2)17-13-21-22(14-17)18-9-4-3-5-10-18/h8,11-14,18H,2-7,9-10H2,1H3/b20-12+.
What are the key properties of 2-(1-cyclohexylpyrazol-4-yl)-N-(6-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine?
2-(1-cyclohexylpyrazol-4-yl)-N-(6-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine has a molecular weight of 295.43 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-4-yl)-N-(6-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 129215194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).