2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole

C18H22F3N5 — CID 155823138

IUPAC2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCn1nc2c(c1CN1CCN(c3ccc(C(F)(F)F)cn3)CC1)CCC2
InChIInChI=1S/C18H22F3N5/c1-24-16(14-3-2-4-15(14)23-24)12-25-7-9-26(10-8-25)17-6-5-13(11-22-17)18(19,20)21/h5-6,11H,2-4,7-10,12H2,1H3
InChIKeyKBRNVCTUFKVPJD-UHFFFAOYSA-N
MW365.40 g/mol
LogP2.64
Rot. Bonds3

About 2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole

2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 155823138) has the molecular formula C18H22F3N5 and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID155823138
Molecular FormulaC18H22F3N5
Molecular Weight365.40 g/mol
Exact Mass365.18
IUPAC Name2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCn1nc2c(c1CN1CCN(c3ccc(C(F)(F)F)cn3)CC1)CCC2
InChIInChI=1S/C18H22F3N5/c1-24-16(14-3-2-4-15(14)23-24)12-25-7-9-26(10-8-25)17-6-5-13(11-22-17)18(19,20)21/h5-6,11H,2-4,7-10,12H2,1H3
InChIKeyKBRNVCTUFKVPJD-UHFFFAOYSA-N
XLogP2.64
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole with MolForge

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Related Compounds

2-methyl-3-[[4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 155941925
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 26601789
1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 45277944
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine
CID 174557120
1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 78782251
2-methyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole
CID 154828834
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
N,N-diethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 78788187
7-methyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 42892009
1-(2-pyrazol-1-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 47521346

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 155823138) is 2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole is Cn1nc2c(c1CN1CCN(c3ccc(C(F)(F)F)cn3)CC1)CCC2.
What is the InChIKey of 2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is KBRNVCTUFKVPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5/c1-24-16(14-3-2-4-15(14)23-24)12-25-7-9-26(10-8-25)17-6-5-13(11-22-17)18(19,20)21/h5-6,11H,2-4,7-10,12H2,1H3.
What are the key properties of 2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 365.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 155823138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).