5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane

C15H19FN2 — CID 145448857

IUPAC5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane
SMILESCC.Cc1c(-c2ccc(F)cc2)n[nH]c1C1CC1
InChIInChI=1S/C13H13FN2.C2H6/c1-8-12(9-2-3-9)15-16-13(8)10-4-6-11(14)7-5-10;1-2/h4-7,9H,2-3H2,1H3,(H,15,16);1-2H3
InChIKeyZWXJPFGQUMUPRU-UHFFFAOYSA-N
MW246.33 g/mol
LogP4.43
Rot. Bonds2

About 5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane

5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane (PubChem CID 145448857) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane.

Molecular Properties

Compound Name5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane
PubChem CID145448857
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane
SMILESCC.Cc1c(-c2ccc(F)cc2)n[nH]c1C1CC1
InChIInChI=1S/C13H13FN2.C2H6/c1-8-12(9-2-3-9)15-16-13(8)10-4-6-11(14)7-5-10;1-2/h4-7,9H,2-3H2,1H3,(H,15,16);1-2H3
InChIKeyZWXJPFGQUMUPRU-UHFFFAOYSA-N
XLogP4.43
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22262543
3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole
CID 19587640
4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-amine
CID 22037336
[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine
CID 83848218
1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 91065681
N-[4-[4-cyano-3-(4-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 66596049
4-[3-(4-fluorophenyl)-5-[(3S)-pyrrolidin-3-yl]-1H-pyrazol-4-yl]pyridine
CID 59041044
3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738009
(4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 7306255
4-(4-fluorophenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine
CID 62907249
ethyl 3-(4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxylate
CID 69402118
4-[3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazol-4-yl]pyridine
CID 22037247

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane?
The IUPAC name of 5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane (CID 145448857) is 5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane.
What is the SMILES notation for 5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane?
The canonical SMILES for 5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane is CC.Cc1c(-c2ccc(F)cc2)n[nH]c1C1CC1.
What is the InChIKey of 5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane?
The InChIKey is ZWXJPFGQUMUPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2.C2H6/c1-8-12(9-2-3-9)15-16-13(8)10-4-6-11(14)7-5-10;1-2/h4-7,9H,2-3H2,1H3,(H,15,16);1-2H3.
What are the key properties of 5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane?
5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane has a molecular weight of 246.33 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane is sourced from PubChem (CID 145448857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).