N-[(Z)-1-(1-cyclohex-3-en-1-yl-3,5-dimethylpyrazol-4-yl)prop-1-en-2-yl]methanimine

C15H21N3 — CID 130336993

IUPACN-[(Z)-1-(1-cyclohex-3-en-1-yl-3,5-dimethylpyrazol-4-yl)prop-1-en-2-yl]methanimine
SMILESC=N/C(C)=C\c1c(C)nn(C2CC=CCC2)c1C
InChIInChI=1S/C15H21N3/c1-11(16-4)10-15-12(2)17-18(13(15)3)14-8-6-5-7-9-14/h5-6,10,14H,4,7-9H2,1-3H3/b11-10-
InChIKeyFZLDGQCHVJHRIG-KHPPLWFESA-N
MW243.35 g/mol
LogP3.84
Rot. Bonds3

About N-[(Z)-1-(1-cyclohex-3-en-1-yl-3,5-dimethylpyrazol-4-yl)prop-1-en-2-yl]methanimine

N-[(Z)-1-(1-cyclohex-3-en-1-yl-3,5-dimethylpyrazol-4-yl)prop-1-en-2-yl]methanimine (PubChem CID 130336993) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(Z)-1-(1-cyclohex-3-en-1-yl-3,5-dimethylpyrazol-4-yl)prop-1-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1-(1-cyclohex-3-en-1-yl-3,5-dimethylpyrazol-4-yl)prop-1-en-2-yl]methanimine
PubChem CID130336993
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(Z)-1-(1-cyclohex-3-en-1-yl-3,5-dimethylpyrazol-4-yl)prop-1-en-2-yl]methanimine
SMILESC=N/C(C)=C\c1c(C)nn(C2CC=CCC2)c1C
InChIInChI=1S/C15H21N3/c1-11(16-4)10-15-12(2)17-18(13(15)3)14-8-6-5-7-9-14/h5-6,10,14H,4,7-9H2,1-3H3/b11-10-
InChIKeyFZLDGQCHVJHRIG-KHPPLWFESA-N
XLogP3.84
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-1-(1-cyclohex-3-en-1-yl-3,5-dimethylpyrazol-4-yl)prop-1-en-2-yl]methanimine with MolForge

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Related Compounds

3,5-dimethyl-1-(2-phenylethyl)-1H-pyrazole
CID 573288
1-Benzyl-3,5-dimethyl-1H-pyrazole
CID 603765
1-Benzyl-3,4,5-trimethyl-1H-pyrazole
CID 563178
1,3,5-Trimethyl-4-allylpyrazole
CID 579724
3,5-Dimethyl-1,4-diallylpyrazole
CID 600666
3,5-Dimethyl-1-(prop-2-en-1-yl)-4-(1,3-diselenan-2-yl)-1h-pyrazole
CID 102137174
(E)-3-amino-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enenitrile
CID 133668800
5-Cyclopenta-1,4-dien-1-yl-1,3,4-trimethylpyrazole
CID 129133813
4-ethenyl-1,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole
CID 22380990
1-Propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole
CID 71204659
5-(Difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole
CID 90162238
1-Methyl-3-(trifluoromethyl)-6,7-dihydroindazole
CID 90167796

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1-cyclohex-3-en-1-yl-3,5-dimethylpyrazol-4-yl)prop-1-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-1-(1-cyclohex-3-en-1-yl-3,5-dimethylpyrazol-4-yl)prop-1-en-2-yl]methanimine (CID 130336993) is N-[(Z)-1-(1-cyclohex-3-en-1-yl-3,5-dimethylpyrazol-4-yl)prop-1-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-1-(1-cyclohex-3-en-1-yl-3,5-dimethylpyrazol-4-yl)prop-1-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-1-(1-cyclohex-3-en-1-yl-3,5-dimethylpyrazol-4-yl)prop-1-en-2-yl]methanimine is C=N/C(C)=C\c1c(C)nn(C2CC=CCC2)c1C.
What is the InChIKey of N-[(Z)-1-(1-cyclohex-3-en-1-yl-3,5-dimethylpyrazol-4-yl)prop-1-en-2-yl]methanimine?
The InChIKey is FZLDGQCHVJHRIG-KHPPLWFESA-N. The full InChI is InChI=1S/C15H21N3/c1-11(16-4)10-15-12(2)17-18(13(15)3)14-8-6-5-7-9-14/h5-6,10,14H,4,7-9H2,1-3H3/b11-10-.
What are the key properties of N-[(Z)-1-(1-cyclohex-3-en-1-yl-3,5-dimethylpyrazol-4-yl)prop-1-en-2-yl]methanimine?
N-[(Z)-1-(1-cyclohex-3-en-1-yl-3,5-dimethylpyrazol-4-yl)prop-1-en-2-yl]methanimine has a molecular weight of 243.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1-cyclohex-3-en-1-yl-3,5-dimethylpyrazol-4-yl)prop-1-en-2-yl]methanimine is sourced from PubChem (CID 130336993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).