2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C14H14F3N7 — CID 72945318

IUPAC2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(NCC(F)(F)F)cc(-n3cccn3)n2)n1
InChIInChI=1S/C14H14F3N7/c1-9-6-10(2)24(22-9)13-20-11(18-8-14(15,16)17)7-12(21-13)23-5-3-4-19-23/h3-7H,8H2,1-2H3,(H,18,20,21)
InChIKeyHOHGICFLPPFDMU-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.44
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 72945318) has the molecular formula C14H14F3N7 and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID72945318
Molecular FormulaC14H14F3N7
Molecular Weight337.31 g/mol
Exact Mass337.13
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(NCC(F)(F)F)cc(-n3cccn3)n2)n1
InChIInChI=1S/C14H14F3N7/c1-9-6-10(2)24(22-9)13-20-11(18-8-14(15,16)17)7-12(21-13)23-5-3-4-19-23/h3-7H,8H2,1-2H3,(H,18,20,21)
InChIKeyHOHGICFLPPFDMU-UHFFFAOYSA-N
XLogP2.44
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 72945318) is 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is Cc1cc(C)n(-c2nc(NCC(F)(F)F)cc(-n3cccn3)n2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is HOHGICFLPPFDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N7/c1-9-6-10(2)24(22-9)13-20-11(18-8-14(15,16)17)7-12(21-13)23-5-3-4-19-23/h3-7H,8H2,1-2H3,(H,18,20,21).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 337.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 72945318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).