7-ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine

C13H12FN3 — CID 126763540

IUPAC7-ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine
SMILESC=CC1=CC(c2cnn(C)c2)=CC(F)=C=C1N
InChIInChI=1S/C13H12FN3/c1-3-9-4-10(5-12(14)6-13(9)15)11-7-16-17(2)8-11/h3-5,7-8H,1,15H2,2H3
InChIKeyPFIXKQIYXHKQCJ-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.22
Rot. Bonds2

About 7-ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine

7-ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine (PubChem CID 126763540) has the molecular formula C13H12FN3 and a molecular weight of 229.26 g/mol. Its IUPAC name is 7-ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine.

Molecular Properties

Compound Name7-ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine
PubChem CID126763540
Molecular FormulaC13H12FN3
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC Name7-ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine
SMILESC=CC1=CC(c2cnn(C)c2)=CC(F)=C=C1N
InChIInChI=1S/C13H12FN3/c1-3-9-4-10(5-12(14)6-13(9)15)11-7-16-17(2)8-11/h3-5,7-8H,1,15H2,2H3
InChIKeyPFIXKQIYXHKQCJ-UHFFFAOYSA-N
XLogP2.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(difluoromethyl)-4-ethenyl-1-methyl-1H-pyrazole
CID 59499487
4-Ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 90162145
4-ethenyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 90162148
4-Ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole
CID 118357782
(1E,3E)-4-fluoro-2-(1-methylpyrazol-4-yl)penta-1,3-dien-1-amine
CID 118951926
4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-1-methylpyrazole
CID 118951977
4-But-2-en-2-yl-1-(difluoromethyl)-3-methylpyrazole
CID 123152613
4-(3-Fluorobuta-1,3-dien-2-yl)-1-methylpyrazole
CID 123160841
4-(1-Fluorobut-2-en-2-yl)-1-methylpyrazole
CID 123461946
4-[5-(Difluoromethoxy)hexa-2,4-dien-3-yl]-1-methylpyrazole
CID 123878340
4-(4-Fluorobuta-1,3-dien-2-yl)-1-methylpyrazole
CID 123913279
5-[(1E)-2-(2-fluoropropan-2-yl)buta-1,3-dienyl]-4-methyl-1-prop-1-en-2-ylpyrazole
CID 130336812

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine?
The IUPAC name of 7-ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine (CID 126763540) is 7-ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine.
What is the SMILES notation for 7-ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine?
The canonical SMILES for 7-ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine is C=CC1=CC(c2cnn(C)c2)=CC(F)=C=C1N.
What is the InChIKey of 7-ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine?
The InChIKey is PFIXKQIYXHKQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3/c1-3-9-4-10(5-12(14)6-13(9)15)11-7-16-17(2)8-11/h3-5,7-8H,1,15H2,2H3.
What are the key properties of 7-ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine?
7-ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine has a molecular weight of 229.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine is sourced from PubChem (CID 126763540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).