[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

C25H27FN4O — CID 16599689

IUPAC[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3nn(-c4ccc(F)cc4)c4c3CCCC4)CC2)c1
InChIInChI=1S/C25H27FN4O/c1-18-5-4-6-21(17-18)28-13-15-29(16-14-28)25(31)24-22-7-2-3-8-23(22)30(27-24)20-11-9-19(26)10-12-20/h4-6,9-12,17H,2-3,7-8,13-16H2,1H3
InChIKeyBVJCQIWXKOIPSP-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.16
Rot. Bonds3

About [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 16599689) has the molecular formula C25H27FN4O and a molecular weight of 418.52 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID16599689
Molecular FormulaC25H27FN4O
Molecular Weight418.52 g/mol
Exact Mass418.22
IUPAC Name[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3nn(-c4ccc(F)cc4)c4c3CCCC4)CC2)c1
InChIInChI=1S/C25H27FN4O/c1-18-5-4-6-21(17-18)28-13-15-29(16-14-28)25(31)24-22-7-2-3-8-23(22)30(27-24)20-11-9-19(26)10-12-20/h4-6,9-12,17H,2-3,7-8,13-16H2,1H3
InChIKeyBVJCQIWXKOIPSP-UHFFFAOYSA-N
XLogP4.16
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 55487253
[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 36995955
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16594851
[3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 46404443
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 110389026
4-[4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720732
1-[4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-3-methylbutan-1-one
CID 24660925
(3,4-dimethoxyphenyl)-[4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 33010133
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 16595994
[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)methanone
CID 55919334
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 75495801
[1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 55702702

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 16599689) is [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3nn(-c4ccc(F)cc4)c4c3CCCC4)CC2)c1.
What is the InChIKey of [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is BVJCQIWXKOIPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O/c1-18-5-4-6-21(17-18)28-13-15-29(16-14-28)25(31)24-22-7-2-3-8-23(22)30(27-24)20-11-9-19(26)10-12-20/h4-6,9-12,17H,2-3,7-8,13-16H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 418.52 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 16599689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).