1-(3,5-dimethylpyrazol-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine

C16H22F3N5 — CID 56718440

IUPAC1-(3,5-dimethylpyrazol-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine
SMILESCc1cc(C(F)(F)F)nc(CCNC(C)Cn2nc(C)cc2C)n1
InChIInChI=1S/C16H22F3N5/c1-10-8-14(16(17,18)19)22-15(21-10)5-6-20-12(3)9-24-13(4)7-11(2)23-24/h7-8,12,20H,5-6,9H2,1-4H3
InChIKeyYCZLGFXXLRNFHS-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.84
Rot. Bonds6

About 1-(3,5-dimethylpyrazol-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine

1-(3,5-dimethylpyrazol-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine (PubChem CID 56718440) has the molecular formula C16H22F3N5 and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine
PubChem CID56718440
Molecular FormulaC16H22F3N5
Molecular Weight341.38 g/mol
Exact Mass341.18
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine
SMILESCc1cc(C(F)(F)F)nc(CCNC(C)Cn2nc(C)cc2C)n1
InChIInChI=1S/C16H22F3N5/c1-10-8-14(16(17,18)19)22-15(21-10)5-6-20-12(3)9-24-13(4)7-11(2)23-24/h7-8,12,20H,5-6,9H2,1-4H3
InChIKeyYCZLGFXXLRNFHS-UHFFFAOYSA-N
XLogP2.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine (CID 56718440) is 1-(3,5-dimethylpyrazol-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine is Cc1cc(C(F)(F)F)nc(CCNC(C)Cn2nc(C)cc2C)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine?
The InChIKey is YCZLGFXXLRNFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5/c1-10-8-14(16(17,18)19)22-15(21-10)5-6-20-12(3)9-24-13(4)7-11(2)23-24/h7-8,12,20H,5-6,9H2,1-4H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine?
1-(3,5-dimethylpyrazol-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine has a molecular weight of 341.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 56718440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).