4-cyclopropyl-N-[3-methyl-1-[1-(2-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C19H21F3N8 — CID 135374477

IUPAC4-cyclopropyl-N-[3-methyl-1-[1-(2-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nn(C2(c3ncnn3C)CCC2)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C19H21F3N8/c1-11-14(9-30(28-11)18(6-3-7-18)16-24-10-25-29(16)2)26-17-23-8-13(19(20,21)22)15(27-17)12-4-5-12/h8-10,12H,3-7H2,1-2H3,(H,23,26,27)
InChIKeyIGGMKPFWOMOTQP-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.68
Rot. Bonds5

About 4-cyclopropyl-N-[3-methyl-1-[1-(2-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine

4-cyclopropyl-N-[3-methyl-1-[1-(2-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 135374477) has the molecular formula C19H21F3N8 and a molecular weight of 418.43 g/mol. Its IUPAC name is 4-cyclopropyl-N-[3-methyl-1-[1-(2-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-[3-methyl-1-[1-(2-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID135374477
Molecular FormulaC19H21F3N8
Molecular Weight418.43 g/mol
Exact Mass418.18
IUPAC Name4-cyclopropyl-N-[3-methyl-1-[1-(2-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nn(C2(c3ncnn3C)CCC2)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C19H21F3N8/c1-11-14(9-30(28-11)18(6-3-7-18)16-24-10-25-29(16)2)26-17-23-8-13(19(20,21)22)15(27-17)12-4-5-12/h8-10,12H,3-7H2,1-2H3,(H,23,26,27)
InChIKeyIGGMKPFWOMOTQP-UHFFFAOYSA-N
XLogP3.68
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[3-methyl-1-[1-(2-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-N-[3-methyl-1-[1-(2-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 135374477) is 4-cyclopropyl-N-[3-methyl-1-[1-(2-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-[3-methyl-1-[1-(2-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-N-[3-methyl-1-[1-(2-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine is Cc1nn(C2(c3ncnn3C)CCC2)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-N-[3-methyl-1-[1-(2-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is IGGMKPFWOMOTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N8/c1-11-14(9-30(28-11)18(6-3-7-18)16-24-10-25-29(16)2)26-17-23-8-13(19(20,21)22)15(27-17)12-4-5-12/h8-10,12H,3-7H2,1-2H3,(H,23,26,27).
What are the key properties of 4-cyclopropyl-N-[3-methyl-1-[1-(2-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-cyclopropyl-N-[3-methyl-1-[1-(2-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 418.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[3-methyl-1-[1-(2-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 135374477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).