N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-pyrazol-1-ylpropanamide

C17H21F3N6O — CID 91631450

IUPACN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-pyrazol-1-ylpropanamide
SMILESCc1nc(N2CCC(NC(=O)C(C)n3cccn3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H21F3N6O/c1-11(26-7-3-6-21-26)16(27)24-13-4-8-25(9-5-13)15-10-14(17(18,19)20)22-12(2)23-15/h3,6-7,10-11,13H,4-5,8-9H2,1-2H3,(H,24,27)
InChIKeyQXYIBOKVCONZNY-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.35
Rot. Bonds4

About N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-pyrazol-1-ylpropanamide

N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-pyrazol-1-ylpropanamide (PubChem CID 91631450) has the molecular formula C17H21F3N6O and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-pyrazol-1-ylpropanamide
PubChem CID91631450
Molecular FormulaC17H21F3N6O
Molecular Weight382.39 g/mol
Exact Mass382.17
IUPAC NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-pyrazol-1-ylpropanamide
SMILESCc1nc(N2CCC(NC(=O)C(C)n3cccn3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H21F3N6O/c1-11(26-7-3-6-21-26)16(27)24-13-4-8-25(9-5-13)15-10-14(17(18,19)20)22-12(2)23-15/h3,6-7,10-11,13H,4-5,8-9H2,1-2H3,(H,24,27)
InChIKeyQXYIBOKVCONZNY-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-pyrazol-1-ylpropanamide (CID 91631450) is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-pyrazol-1-ylpropanamide is Cc1nc(N2CCC(NC(=O)C(C)n3cccn3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-pyrazol-1-ylpropanamide?
The InChIKey is QXYIBOKVCONZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O/c1-11(26-7-3-6-21-26)16(27)24-13-4-8-25(9-5-13)15-10-14(17(18,19)20)22-12(2)23-15/h3,6-7,10-11,13H,4-5,8-9H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-pyrazol-1-ylpropanamide?
N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-pyrazol-1-ylpropanamide has a molecular weight of 382.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 91631450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).