2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine

C14H16F3N5 — CID 56778071

IUPAC2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCCCC2Cn2cccn2)n1
InChIInChI=1S/C14H16F3N5/c15-14(16,17)12-5-7-18-13(20-12)22-9-2-1-4-11(22)10-21-8-3-6-19-21/h3,5-8,11H,1-2,4,9-10H2
InChIKeyLVIPVEKCWXWRFP-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.75
Rot. Bonds3

About 2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine

2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 56778071) has the molecular formula C14H16F3N5 and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID56778071
Molecular FormulaC14H16F3N5
Molecular Weight311.31 g/mol
Exact Mass311.14
IUPAC Name2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCCCC2Cn2cccn2)n1
InChIInChI=1S/C14H16F3N5/c15-14(16,17)12-5-7-18-13(20-12)22-9-2-1-4-11(22)10-21-8-3-6-19-21/h3,5-8,11H,1-2,4,9-10H2
InChIKeyLVIPVEKCWXWRFP-UHFFFAOYSA-N
XLogP2.75
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine
CID 64585888
N-[[(2S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]methanesulfonamide
CID 94063930
methyl 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetate
CID 64585502
3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 64585862
(2R)-2-(pyrazol-1-ylmethyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-oxazepane
CID 97197141
1-[(2R)-2-[(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95315380
2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 166068939
2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 31536956
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 95569651
2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 97012968
4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 95764298
[(2R)-1-(4-chloropyrimidin-2-yl)piperidin-2-yl]methanamine
CID 97165385

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 56778071) is 2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(N2CCCCC2Cn2cccn2)n1.
What is the InChIKey of 2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is LVIPVEKCWXWRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5/c15-14(16,17)12-5-7-18-13(20-12)22-9-2-1-4-11(22)10-21-8-3-6-19-21/h3,5-8,11H,1-2,4,9-10H2.
What are the key properties of 2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 311.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 56778071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).