(2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine

C10H14F3N3 — CID 135283984

IUPAC(2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
SMILESCn1nccc1[C@H]1C[C@@H](C(F)(F)F)CCN1
InChIInChI=1S/C10H14F3N3/c1-16-9(3-5-15-16)8-6-7(2-4-14-8)10(11,12)13/h3,5,7-8,14H,2,4,6H2,1H3/t7-,8+/m0/s1
InChIKeyNSKUENBKAOBCRR-JGVFFNPUSA-N
MW233.24 g/mol
LogP2.02
Rot. Bonds1

About (2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine

(2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine (PubChem CID 135283984) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is (2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
PubChem CID135283984
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name(2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
SMILESCn1nccc1[C@H]1C[C@@H](C(F)(F)F)CCN1
InChIInChI=1S/C10H14F3N3/c1-16-9(3-5-15-16)8-6-7(2-4-14-8)10(11,12)13/h3,5,7-8,14H,2,4,6H2,1H3/t7-,8+/m0/s1
InChIKeyNSKUENBKAOBCRR-JGVFFNPUSA-N
XLogP2.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-((1-methyl-1H-pyrazol-5-yl)methyl)piperidine
CID 63961604
1-(1-ethyl-1H-pyrazol-5-yl)ethan-1-amine
CID 19585894
3-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989017
4-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989018
3-(1-methyl-1H-pyrazol-3-yl)piperidine
CID 82414416
4-(1-methyl-1H-pyrazol-3-yl)piperidine
CID 82414451
1-methyl-3-(pyrrolidin-3-yl)-1H-pyrazole
CID 82417224
4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-4-amine
CID 83872256
4-(2-Methylpyrazol-3-yl)piperidine;dihydrochloride
CID 92130993
4-(1-methyl-1H-pyrazol-3-yl)piperidine hydrochloride
CID 165595799
{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-methylethyl}amine
CID 19620826
1-(1-methyl-1H-pyrazol-5-yl)propan-1-amine
CID 45791146

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
The IUPAC name of (2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine (CID 135283984) is (2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for (2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for (2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine is Cn1nccc1[C@H]1C[C@@H](C(F)(F)F)CCN1.
What is the InChIKey of (2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
The InChIKey is NSKUENBKAOBCRR-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-16-9(3-5-15-16)8-6-7(2-4-14-8)10(11,12)13/h3,5,7-8,14H,2,4,6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
(2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine has a molecular weight of 233.24 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 135283984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).