3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-4-carboxamide

C16H19F3N6O — CID 91631396

IUPAC3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C16H19F3N6O/c1-9-14(10(2)24-23-9)15(26)22-11-3-5-25(6-4-11)13-7-12(16(17,18)19)20-8-21-13/h7-8,11H,3-6H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyYOCLFLOFINRGIE-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.23
Rot. Bonds3

About 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 91631396) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID91631396
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC Name3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C16H19F3N6O/c1-9-14(10(2)24-23-9)15(26)22-11-3-5-25(6-4-11)13-7-12(16(17,18)19)20-8-21-13/h7-8,11H,3-6H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyYOCLFLOFINRGIE-UHFFFAOYSA-N
XLogP2.23
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-4-carboxamide (CID 91631396) is 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is YOCLFLOFINRGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c1-9-14(10(2)24-23-9)15(26)22-11-3-5-25(6-4-11)13-7-12(16(17,18)19)20-8-21-13/h7-8,11H,3-6H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91631396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).