1-propan-2-yl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine

C12H18F3N3 — CID 138667286

IUPAC1-propan-2-yl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESCC(C)N1CCC(n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C12H18F3N3/c1-9(2)17-5-3-11(4-6-17)18-8-10(7-16-18)12(13,14)15/h7-9,11H,3-6H2,1-2H3
InChIKeyRRBDNFSJSAOXKN-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.95
Rot. Bonds2

About 1-propan-2-yl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine

1-propan-2-yl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine (PubChem CID 138667286) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-propan-2-yl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name1-propan-2-yl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
PubChem CID138667286
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name1-propan-2-yl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESCC(C)N1CCC(n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C12H18F3N3/c1-9(2)17-5-3-11(4-6-17)18-8-10(7-16-18)12(13,14)15/h7-9,11H,3-6H2,1-2H3
InChIKeyRRBDNFSJSAOXKN-UHFFFAOYSA-N
XLogP2.95
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-1H-pyrazol-1-yl)piperidine
CID 54592641
4-(4-(trifluoromethyl)-1H-pyrazol-1-yl)piperidine hydrochloride
CID 86775176
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 45806340
3,3,3-Trifluoro-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 56779110
1-Methyl-4-(trifluoromethyl)-1H-pyrazole
CID 10920680
1-Tert-butyl-4-(trifluoromethyl)pyrazole
CID 57808376
1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-aminetrihydrochloride
CID 165890813
1-[(1-Ethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 75500667
1-[(1-Propylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 75509389
1-[(1-Ethylpyrazol-4-yl)methyl]-2,2,4-trimethylpiperazine
CID 84594416
1-Methyl-4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]pyrazole
CID 126818442
1-(2-Methylpropyl)-4-(trifluoromethyl)pyrazole
CID 20696771

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine?
The IUPAC name of 1-propan-2-yl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine (CID 138667286) is 1-propan-2-yl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine.
What is the SMILES notation for 1-propan-2-yl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine?
The canonical SMILES for 1-propan-2-yl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine is CC(C)N1CCC(n2cc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-propan-2-yl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine?
The InChIKey is RRBDNFSJSAOXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-9(2)17-5-3-11(4-6-17)18-8-10(7-16-18)12(13,14)15/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine?
1-propan-2-yl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine has a molecular weight of 261.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine is sourced from PubChem (CID 138667286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).