4-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole;N-methylethanamine

C20H26FN3 — CID 144943937

IUPAC4-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole;N-methylethanamine
SMILESCCNC.Cc1cc(C2=C(c3cn[nH]c3)C=CC(C)C2)ccc1F
InChIInChI=1S/C17H17FN2.C3H9N/c1-11-3-5-15(14-9-19-20-10-14)16(7-11)13-4-6-17(18)12(2)8-13;1-3-4-2/h3-6,8-11H,7H2,1-2H3,(H,19,20);4H,3H2,1-2H3
InChIKeyHWHZFKQDWQZTJL-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.59
Rot. Bonds3

About 4-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole;N-methylethanamine

4-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole;N-methylethanamine (PubChem CID 144943937) has the molecular formula C20H26FN3 and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole;N-methylethanamine.

Molecular Properties

Compound Name4-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole;N-methylethanamine
PubChem CID144943937
Molecular FormulaC20H26FN3
Molecular Weight327.45 g/mol
Exact Mass327.21
IUPAC Name4-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole;N-methylethanamine
SMILESCCNC.Cc1cc(C2=C(c3cn[nH]c3)C=CC(C)C2)ccc1F
InChIInChI=1S/C17H17FN2.C3H9N/c1-11-3-5-15(14-9-19-20-10-14)16(7-11)13-4-6-17(18)12(2)8-13;1-3-4-2/h3-6,8-11H,7H2,1-2H3,(H,19,20);4H,3H2,1-2H3
InChIKeyHWHZFKQDWQZTJL-UHFFFAOYSA-N
XLogP4.59
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole;N-methylethanamine with MolForge

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Related Compounds

4-(4-fluoro-3-methylphenyl)-1H-pyrazole
CID 118018809
(Z)-3-[5-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-2-methyl-2H-pyridin-1-yl]pent-3-en-2-one
CID 144602155
(Z)-2-[5-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-2-methylidene-1-pyridinyl]-N-oxobut-2-enamide
CID 144602136
1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine
CID 83850555
4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole
CID 90292619
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 82290112
4-(4-fluorophenyl)-1H-pyrazole
CID 15376482
1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]butane-1,4-dione
CID 167552594
4-[4-(4-fluoro-3-methylphenyl)phenoxy]-2H-triazole
CID 162002409
N-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine
CID 63424528
N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 64730112
2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475223

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole;N-methylethanamine?
The IUPAC name of 4-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole;N-methylethanamine (CID 144943937) is 4-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole;N-methylethanamine.
What is the SMILES notation for 4-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole;N-methylethanamine?
The canonical SMILES for 4-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole;N-methylethanamine is CCNC.Cc1cc(C2=C(c3cn[nH]c3)C=CC(C)C2)ccc1F.
What is the InChIKey of 4-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole;N-methylethanamine?
The InChIKey is HWHZFKQDWQZTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2.C3H9N/c1-11-3-5-15(14-9-19-20-10-14)16(7-11)13-4-6-17(18)12(2)8-13;1-3-4-2/h3-6,8-11H,7H2,1-2H3,(H,19,20);4H,3H2,1-2H3.
What are the key properties of 4-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole;N-methylethanamine?
4-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole;N-methylethanamine has a molecular weight of 327.45 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole;N-methylethanamine is sourced from PubChem (CID 144943937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).