2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C13H19F3N4 — CID 56915169

IUPAC2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESFC(F)(F)C1CCN(Cc2cc3n(n2)CCNC3)CC1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)10-1-4-19(5-2-10)9-11-7-12-8-17-3-6-20(12)18-11/h7,10,17H,1-6,8-9H2
InChIKeyRVXHWCSQPSXDQD-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.76
Rot. Bonds2

About 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 56915169) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID56915169
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESFC(F)(F)C1CCN(Cc2cc3n(n2)CCNC3)CC1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)10-1-4-19(5-2-10)9-11-7-12-8-17-3-6-20(12)18-11/h7,10,17H,1-6,8-9H2
InChIKeyRVXHWCSQPSXDQD-UHFFFAOYSA-N
XLogP1.76
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5,6,7-Tetrahydro-2-(trifluoromethyl)-pyrazolo(1,5-a)pyrazine
CID 54775461
N'-({5-[(1-isopropylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)-N,N-dimethylurea
CID 70767206
N-[(5-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]propan-2-amine
CID 72925594
2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine hydrochloride
CID 132353952
2-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazine hydrochloride
CID 134690763
[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amine dihydrochloride
CID 56912432
4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]piperidine
CID 52191583
2-[[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 95716135
1-[(2,5-Dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine
CID 126790761
Piperidine, 4-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-
CID 11608470
1-((1-Ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methyl)piperazine
CID 25248516
2-Methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 44141771

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 56915169) is 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is FC(F)(F)C1CCN(Cc2cc3n(n2)CCNC3)CC1.
What is the InChIKey of 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is RVXHWCSQPSXDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c14-13(15,16)10-1-4-19(5-2-10)9-11-7-12-8-17-3-6-20(12)18-11/h7,10,17H,1-6,8-9H2.
What are the key properties of 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 288.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 56915169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).