(3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine

C14H17ClF3N5 — CID 124721687

IUPAC(3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESCn1ncc(Cl)c1CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H17ClF3N5/c1-21-12(11(15)7-19-21)9-22-5-2-3-10(8-22)23-6-4-13(20-23)14(16,17)18/h4,6-7,10H,2-3,5,8-9H2,1H3/t10-/m1/s1
InChIKeyAHBSTDUTOHTNBH-SNVBAGLBSA-N
MW347.77 g/mol
LogP3.13
Rot. Bonds3

About (3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine

(3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine (PubChem CID 124721687) has the molecular formula C14H17ClF3N5 and a molecular weight of 347.77 g/mol. Its IUPAC name is (3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name(3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
PubChem CID124721687
Molecular FormulaC14H17ClF3N5
Molecular Weight347.77 g/mol
Exact Mass347.11
IUPAC Name(3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESCn1ncc(Cl)c1CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H17ClF3N5/c1-21-12(11(15)7-19-21)9-22-5-2-3-10(8-22)23-6-4-13(20-23)14(16,17)18/h4,6-7,10H,2-3,5,8-9H2,1H3/t10-/m1/s1
InChIKeyAHBSTDUTOHTNBH-SNVBAGLBSA-N
XLogP3.13
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
CID 99838934
N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine
CID 124625051
2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 124616403
2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 124616399
4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 124626355
1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844531
3-[[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]benzoic acid
CID 122032737
1-chloro-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]isoquinoline
CID 133450902
(R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 124619440
4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
CID 133450762
1-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 133450828
1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 75499504

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
The IUPAC name of (3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine (CID 124721687) is (3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine.
What is the SMILES notation for (3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
The canonical SMILES for (3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine is Cn1ncc(Cl)c1CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of (3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
The InChIKey is AHBSTDUTOHTNBH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClF3N5/c1-21-12(11(15)7-19-21)9-22-5-2-3-10(8-22)23-6-4-13(20-23)14(16,17)18/h4,6-7,10H,2-3,5,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
(3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine has a molecular weight of 347.77 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine is sourced from PubChem (CID 124721687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).