1-[[5-thiophen-2-yl-1-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine

C14H16F3N3S — CID 140579505

IUPAC1-[[5-thiophen-2-yl-1-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine
SMILESFC(F)(F)n1nc(CN2CCCCC2)cc1-c1cccs1
InChIInChI=1S/C14H16F3N3S/c15-14(16,17)20-12(13-5-4-8-21-13)9-11(18-20)10-19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7,10H2
InChIKeyLSHPTFDNOLHDRA-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.07
Rot. Bonds3

About 1-[[5-thiophen-2-yl-1-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine

1-[[5-thiophen-2-yl-1-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine (PubChem CID 140579505) has the molecular formula C14H16F3N3S and a molecular weight of 315.36 g/mol. Its IUPAC name is 1-[[5-thiophen-2-yl-1-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[5-thiophen-2-yl-1-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine
PubChem CID140579505
Molecular FormulaC14H16F3N3S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Name1-[[5-thiophen-2-yl-1-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine
SMILESFC(F)(F)n1nc(CN2CCCCC2)cc1-c1cccs1
InChIInChI=1S/C14H16F3N3S/c15-14(16,17)20-12(13-5-4-8-21-13)9-11(18-20)10-19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7,10H2
InChIKeyLSHPTFDNOLHDRA-UHFFFAOYSA-N
XLogP4.07
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-thiophen-2-yl-1-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine?
The IUPAC name of 1-[[5-thiophen-2-yl-1-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine (CID 140579505) is 1-[[5-thiophen-2-yl-1-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine.
What is the SMILES notation for 1-[[5-thiophen-2-yl-1-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine?
The canonical SMILES for 1-[[5-thiophen-2-yl-1-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine is FC(F)(F)n1nc(CN2CCCCC2)cc1-c1cccs1.
What is the InChIKey of 1-[[5-thiophen-2-yl-1-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine?
The InChIKey is LSHPTFDNOLHDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3S/c15-14(16,17)20-12(13-5-4-8-21-13)9-11(18-20)10-19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7,10H2.
What are the key properties of 1-[[5-thiophen-2-yl-1-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine?
1-[[5-thiophen-2-yl-1-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine has a molecular weight of 315.36 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-thiophen-2-yl-1-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine is sourced from PubChem (CID 140579505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).