5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine

C14H14ClF3N6 — CID 138710551

IUPAC5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC(C)n1cc(Nc2ncc3c(Cl)cn(C)c3n2)c(C(F)(F)F)n1
InChIInChI=1S/C14H14ClF3N6/c1-7(2)24-6-10(11(22-24)14(16,17)18)20-13-19-4-8-9(15)5-23(3)12(8)21-13/h4-7H,1-3H3,(H,19,20,21)
InChIKeyVRSBGMBNHQDBEZ-UHFFFAOYSA-N
MW358.76 g/mol
LogP4.16
Rot. Bonds3

About 5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine

5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 138710551) has the molecular formula C14H14ClF3N6 and a molecular weight of 358.76 g/mol. Its IUPAC name is 5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID138710551
Molecular FormulaC14H14ClF3N6
Molecular Weight358.76 g/mol
Exact Mass358.09
IUPAC Name5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC(C)n1cc(Nc2ncc3c(Cl)cn(C)c3n2)c(C(F)(F)F)n1
InChIInChI=1S/C14H14ClF3N6/c1-7(2)24-6-10(11(22-24)14(16,17)18)20-13-19-4-8-9(15)5-23(3)12(8)21-13/h4-7H,1-3H3,(H,19,20,21)
InChIKeyVRSBGMBNHQDBEZ-UHFFFAOYSA-N
XLogP4.16
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.76
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(3-chloro-1-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
CID 138711064
5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 163700363
5-chloro-N-[3-chloro-1-(1-methylsulfonylazepan-4-yl)pyrazol-4-yl]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
CID 165098636
5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine
CID 138710573
5-chloro-N-[3-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine
CID 138711071
4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 90162175
3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
CID 133058620
5-chloro-4-N-methyl-2-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 162163885
[4-[3-chloro-4-[(5-chloro-7-ethylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]piperidin-1-yl]-cyclopropylmethanone
CID 138710500
[(3R)-3-[3-chloro-4-[(5-chloro-7-ethylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 138710508
(2R)-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]but-3-ynenitrile
CID 131994940
3-chloro-N-[3-chloro-1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 165008450

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 138710551) is 5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine is CC(C)n1cc(Nc2ncc3c(Cl)cn(C)c3n2)c(C(F)(F)F)n1.
What is the InChIKey of 5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is VRSBGMBNHQDBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N6/c1-7(2)24-6-10(11(22-24)14(16,17)18)20-13-19-4-8-9(15)5-23(3)12(8)21-13/h4-7H,1-3H3,(H,19,20,21).
What are the key properties of 5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine?
5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 358.76 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 138710551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).