fluoromethane;1-methyl-4-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]pyrazole

C14H23FN2 — CID 177040028

IUPACfluoromethane;1-methyl-4-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]pyrazole
SMILESCC/C=C(\C)c1nn(C)cc1C=C(C)C.CF
InChIInChI=1S/C13H20N2.CH3F/c1-6-7-11(4)13-12(8-10(2)3)9-15(5)14-13;1-2/h7-9H,6H2,1-5H3;1H3/b11-7+;
InChIKeyGSLVUMNEYISHKJ-RVDQCCQOSA-N
MW238.35 g/mol
LogP4.24
Rot. Bonds3

About fluoromethane;1-methyl-4-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]pyrazole

fluoromethane;1-methyl-4-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]pyrazole (PubChem CID 177040028) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is fluoromethane;1-methyl-4-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]pyrazole.

Molecular Properties

Compound Namefluoromethane;1-methyl-4-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]pyrazole
PubChem CID177040028
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Namefluoromethane;1-methyl-4-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]pyrazole
SMILESCC/C=C(\C)c1nn(C)cc1C=C(C)C.CF
InChIInChI=1S/C13H20N2.CH3F/c1-6-7-11(4)13-12(8-10(2)3)9-15(5)14-13;1-2/h7-9H,6H2,1-5H3;1H3/b11-7+;
InChIKeyGSLVUMNEYISHKJ-RVDQCCQOSA-N
XLogP4.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze fluoromethane;1-methyl-4-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]pyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluoromethane;1-methyl-4-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]pyrazole?
The IUPAC name of fluoromethane;1-methyl-4-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]pyrazole (CID 177040028) is fluoromethane;1-methyl-4-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]pyrazole.
What is the SMILES notation for fluoromethane;1-methyl-4-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]pyrazole?
The canonical SMILES for fluoromethane;1-methyl-4-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]pyrazole is CC/C=C(\C)c1nn(C)cc1C=C(C)C.CF.
What is the InChIKey of fluoromethane;1-methyl-4-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]pyrazole?
The InChIKey is GSLVUMNEYISHKJ-RVDQCCQOSA-N. The full InChI is InChI=1S/C13H20N2.CH3F/c1-6-7-11(4)13-12(8-10(2)3)9-15(5)14-13;1-2/h7-9H,6H2,1-5H3;1H3/b11-7+;.
What are the key properties of fluoromethane;1-methyl-4-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]pyrazole?
fluoromethane;1-methyl-4-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]pyrazole has a molecular weight of 238.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1-methyl-4-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]pyrazole is sourced from PubChem (CID 177040028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).