(3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine

C10H14F3N3 — CID 162598610

IUPAC(3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
SMILESC[C@]1(C(F)(F)F)CCCN(c2ccn[nH]2)C1
InChIInChI=1S/C10H14F3N3/c1-9(10(11,12)13)4-2-6-16(7-9)8-3-5-14-15-8/h3,5H,2,4,6-7H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyPRHGQTUSORVCSI-VIFPVBQESA-N
MW233.24 g/mol
LogP2.58
Rot. Bonds1

About (3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine

(3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine (PubChem CID 162598610) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is (3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
PubChem CID162598610
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name(3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
SMILESC[C@]1(C(F)(F)F)CCCN(c2ccn[nH]2)C1
InChIInChI=1S/C10H14F3N3/c1-9(10(11,12)13)4-2-6-16(7-9)8-3-5-14-15-8/h3,5H,2,4,6-7H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyPRHGQTUSORVCSI-VIFPVBQESA-N
XLogP2.58
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidino-pyrazole
CID 21416212
N,N-diethyl-1H-pyrazol-5-amine
CID 57421378
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 126655317
(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 126655318
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 126655319
4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol
CID 126655635
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
CID 126677628
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 126677645
(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
CID 126677646
1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine
CID 141330185
1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine
CID 141330208
ethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 145270682

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine?
The IUPAC name of (3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine (CID 162598610) is (3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine.
What is the SMILES notation for (3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine?
The canonical SMILES for (3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine is C[C@]1(C(F)(F)F)CCCN(c2ccn[nH]2)C1.
What is the InChIKey of (3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine?
The InChIKey is PRHGQTUSORVCSI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14F3N3/c1-9(10(11,12)13)4-2-6-16(7-9)8-3-5-14-15-8/h3,5H,2,4,6-7H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine?
(3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine has a molecular weight of 233.24 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 162598610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).