4-(4,4-difluoro-5-methylhex-5-enyl)-1-methylpyrazole

C11H16F2N2 — CID 134556292

IUPAC4-(4,4-difluoro-5-methylhex-5-enyl)-1-methylpyrazole
SMILESC=C(C)C(F)(F)CCCc1cnn(C)c1
InChIInChI=1S/C11H16F2N2/c1-9(2)11(12,13)6-4-5-10-7-14-15(3)8-10/h7-8H,1,4-6H2,2-3H3
InChIKeyIXZFDSVULRCUPL-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.95
Rot. Bonds5

About 4-(4,4-difluoro-5-methylhex-5-enyl)-1-methylpyrazole

4-(4,4-difluoro-5-methylhex-5-enyl)-1-methylpyrazole (PubChem CID 134556292) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-(4,4-difluoro-5-methylhex-5-enyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(4,4-difluoro-5-methylhex-5-enyl)-1-methylpyrazole
PubChem CID134556292
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-(4,4-difluoro-5-methylhex-5-enyl)-1-methylpyrazole
SMILESC=C(C)C(F)(F)CCCc1cnn(C)c1
InChIInChI=1S/C11H16F2N2/c1-9(2)11(12,13)6-4-5-10-7-14-15(3)8-10/h7-8H,1,4-6H2,2-3H3
InChIKeyIXZFDSVULRCUPL-UHFFFAOYSA-N
XLogP2.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 47003365
4-(1-methyl-1H-pyrazol-4-yl)butan-1-amine
CID 50988989
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805
2-methyl-3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62505178
4-(2-Bromo-1,1-difluoropropyl)-1-methyl-1h-pyrazole
CID 172052385
4-[(2R)-2-bromo-1,1-difluoropropyl]-1-methylpyrazole
CID 177850219
N-methyl-N-[(Z)-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethylidene]amino]methanamine
CID 178346340
1-Methyl-4-octylpyrazole
CID 44222592
4-[3,3-Difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine
CID 18187752
2-[1-(1-Tert-butylpyrazol-4-yl)ethyl]-5,5,5-trifluoro-2-isocyanopentanenitrile
CID 57736269
2-[(1-Cyclohexylpyrazol-4-yl)methyl]-5,5,5-trifluoro-2-isocyanopentanenitrile
CID 57736301
2-[(1-Tert-butylpyrazol-4-yl)methyl]-5,5,5-trifluoro-2-isocyanopentanenitrile
CID 57736316

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoro-5-methylhex-5-enyl)-1-methylpyrazole?
The IUPAC name of 4-(4,4-difluoro-5-methylhex-5-enyl)-1-methylpyrazole (CID 134556292) is 4-(4,4-difluoro-5-methylhex-5-enyl)-1-methylpyrazole.
What is the SMILES notation for 4-(4,4-difluoro-5-methylhex-5-enyl)-1-methylpyrazole?
The canonical SMILES for 4-(4,4-difluoro-5-methylhex-5-enyl)-1-methylpyrazole is C=C(C)C(F)(F)CCCc1cnn(C)c1.
What is the InChIKey of 4-(4,4-difluoro-5-methylhex-5-enyl)-1-methylpyrazole?
The InChIKey is IXZFDSVULRCUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-9(2)11(12,13)6-4-5-10-7-14-15(3)8-10/h7-8H,1,4-6H2,2-3H3.
What are the key properties of 4-(4,4-difluoro-5-methylhex-5-enyl)-1-methylpyrazole?
4-(4,4-difluoro-5-methylhex-5-enyl)-1-methylpyrazole has a molecular weight of 214.26 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoro-5-methylhex-5-enyl)-1-methylpyrazole is sourced from PubChem (CID 134556292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).