4-(4-fluorophenyl)-3-methyl-1,5-dihydrocyclohepta[c]pyrazole

C15H13FN2 — CID 91159501

IUPAC4-(4-fluorophenyl)-3-methyl-1,5-dihydrocyclohepta[c]pyrazole
SMILESCc1n[nH]c2c1=C(c1ccc(F)cc1)CC=CC=2
InChIInChI=1S/C15H13FN2/c1-10-15-13(11-6-8-12(16)9-7-11)4-2-3-5-14(15)18-17-10/h2-3,5-9,18H,4H2,1H3
InChIKeyPYRXFWMZDJQLHE-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.80
Rot. Bonds1

About 4-(4-fluorophenyl)-3-methyl-1,5-dihydrocyclohepta[c]pyrazole

4-(4-fluorophenyl)-3-methyl-1,5-dihydrocyclohepta[c]pyrazole (PubChem CID 91159501) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-methyl-1,5-dihydrocyclohepta[c]pyrazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-methyl-1,5-dihydrocyclohepta[c]pyrazole
PubChem CID91159501
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name4-(4-fluorophenyl)-3-methyl-1,5-dihydrocyclohepta[c]pyrazole
SMILESCc1n[nH]c2c1=C(c1ccc(F)cc1)CC=CC=2
InChIInChI=1S/C15H13FN2/c1-10-15-13(11-6-8-12(16)9-7-11)4-2-3-5-14(15)18-17-10/h2-3,5-9,18H,4H2,1H3
InChIKeyPYRXFWMZDJQLHE-UHFFFAOYSA-N
XLogP1.80
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Phenyl-3,6-bis(trifluoromethyl)-1,4-dihydropyridazine
CID 15122026
3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole
CID 13143699
3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole
CID 22605871
6-methylidene-3-(3,4,5-trifluorophenyl)-1H-pyridazine
CID 68274500
(4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole
CID 71190810
1-Tert-butyl-2-[1-(2,3,4-trifluorophenyl)ethylidene]hydrazine
CID 86676808
2-methyl-N-[(Z)-1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine
CID 87411819
2-methyl-N-[(E)-1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine
CID 88889545
1,1,1-trifluoro-N-[(E)-1-phenylbutylideneamino]methanamine
CID 89059206
(1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine
CID 89331468
4-(1-Cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole
CID 91468261
4-[4-(4-fluorophenyl)butyl]-3,7-dimethyl-5,6-dihydro-1H-cycloocta[c]pyrazole
CID 91566482

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-methyl-1,5-dihydrocyclohepta[c]pyrazole?
The IUPAC name of 4-(4-fluorophenyl)-3-methyl-1,5-dihydrocyclohepta[c]pyrazole (CID 91159501) is 4-(4-fluorophenyl)-3-methyl-1,5-dihydrocyclohepta[c]pyrazole.
What is the SMILES notation for 4-(4-fluorophenyl)-3-methyl-1,5-dihydrocyclohepta[c]pyrazole?
The canonical SMILES for 4-(4-fluorophenyl)-3-methyl-1,5-dihydrocyclohepta[c]pyrazole is Cc1n[nH]c2c1=C(c1ccc(F)cc1)CC=CC=2.
What is the InChIKey of 4-(4-fluorophenyl)-3-methyl-1,5-dihydrocyclohepta[c]pyrazole?
The InChIKey is PYRXFWMZDJQLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c1-10-15-13(11-6-8-12(16)9-7-11)4-2-3-5-14(15)18-17-10/h2-3,5-9,18H,4H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-3-methyl-1,5-dihydrocyclohepta[c]pyrazole?
4-(4-fluorophenyl)-3-methyl-1,5-dihydrocyclohepta[c]pyrazole has a molecular weight of 240.28 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-methyl-1,5-dihydrocyclohepta[c]pyrazole is sourced from PubChem (CID 91159501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).