2-ethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide

C17H21F3N6O — CID 91631464

IUPAC2-ethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1
InChIInChI=1S/C17H21F3N6O/c1-3-26-13(4-7-21-26)16(27)24-12-5-8-25(9-6-12)15-10-14(17(18,19)20)22-11(2)23-15/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,24,27)
InChIKeyCVCLKIPHEYYNJK-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.42
Rot. Bonds4

About 2-ethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide

2-ethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 91631464) has the molecular formula C17H21F3N6O and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-ethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide
PubChem CID91631464
Molecular FormulaC17H21F3N6O
Molecular Weight382.39 g/mol
Exact Mass382.17
IUPAC Name2-ethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1
InChIInChI=1S/C17H21F3N6O/c1-3-26-13(4-7-21-26)16(27)24-12-5-8-25(9-6-12)15-10-14(17(18,19)20)22-11(2)23-15/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,24,27)
InChIKeyCVCLKIPHEYYNJK-UHFFFAOYSA-N
XLogP2.42
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide (CID 91631464) is 2-ethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide is CCn1nccc1C(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1.
What is the InChIKey of 2-ethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is CVCLKIPHEYYNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O/c1-3-26-13(4-7-21-26)16(27)24-12-5-8-25(9-6-12)15-10-14(17(18,19)20)22-11(2)23-15/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,24,27).
What are the key properties of 2-ethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide?
2-ethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 91631464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).