2-pyrazol-1-yl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]pyrimidine-5-carboxamide

C17H15F3N6O — CID 143866396

IUPAC2-pyrazol-1-yl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]pyrimidine-5-carboxamide
SMILESCC(C)(c1ccc(C(F)(F)F)nc1)c1nc(-n2cccn2)ncc1C(N)=O
InChIInChI=1S/C17H15F3N6O/c1-16(2,10-4-5-12(22-8-10)17(18,19)20)13-11(14(21)27)9-23-15(25-13)26-7-3-6-24-26/h3-9H,1-2H3,(H2,21,27)
InChIKeyRLHLASYSRPWJPS-UHFFFAOYSA-N
MW376.34 g/mol
LogP2.50
Rot. Bonds4

About 2-pyrazol-1-yl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]pyrimidine-5-carboxamide

2-pyrazol-1-yl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]pyrimidine-5-carboxamide (PubChem CID 143866396) has the molecular formula C17H15F3N6O and a molecular weight of 376.34 g/mol. Its IUPAC name is 2-pyrazol-1-yl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]pyrimidine-5-carboxamide
PubChem CID143866396
Molecular FormulaC17H15F3N6O
Molecular Weight376.34 g/mol
Exact Mass376.13
IUPAC Name2-pyrazol-1-yl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]pyrimidine-5-carboxamide
SMILESCC(C)(c1ccc(C(F)(F)F)nc1)c1nc(-n2cccn2)ncc1C(N)=O
InChIInChI=1S/C17H15F3N6O/c1-16(2,10-4-5-12(22-8-10)17(18,19)20)13-11(14(21)27)9-23-15(25-13)26-7-3-6-24-26/h3-9H,1-2H3,(H2,21,27)
InChIKeyRLHLASYSRPWJPS-UHFFFAOYSA-N
XLogP2.50
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-pyrazol-1-yl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]pyrimidine-5-carboxamide (CID 143866396) is 2-pyrazol-1-yl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-pyrazol-1-yl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-pyrazol-1-yl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]pyrimidine-5-carboxamide is CC(C)(c1ccc(C(F)(F)F)nc1)c1nc(-n2cccn2)ncc1C(N)=O.
What is the InChIKey of 2-pyrazol-1-yl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]pyrimidine-5-carboxamide?
The InChIKey is RLHLASYSRPWJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O/c1-16(2,10-4-5-12(22-8-10)17(18,19)20)13-11(14(21)27)9-23-15(25-13)26-7-3-6-24-26/h3-9H,1-2H3,(H2,21,27).
What are the key properties of 2-pyrazol-1-yl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]pyrimidine-5-carboxamide?
2-pyrazol-1-yl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]pyrimidine-5-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 143866396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).