1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

C10H17F3N4 — CID 55011693

IUPAC1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(N(CC(F)(F)F)C(C)C)c1N
InChIInChI=1S/C10H17F3N4/c1-6(2)17(5-10(11,12)13)9-8(14)7(3)15-16(9)4/h6H,5,14H2,1-4H3
InChIKeyOLJSCISQWYTKIX-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.09
Rot. Bonds3

About 1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 55011693) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID55011693
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC Name1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(N(CC(F)(F)F)C(C)C)c1N
InChIInChI=1S/C10H17F3N4/c1-6(2)17(5-10(11,12)13)9-8(14)7(3)15-16(9)4/h6H,5,14H2,1-4H3
InChIKeyOLJSCISQWYTKIX-UHFFFAOYSA-N
XLogP2.09
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 55011693) is 1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is Cc1nn(C)c(N(CC(F)(F)F)C(C)C)c1N.
What is the InChIKey of 1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is OLJSCISQWYTKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4/c1-6(2)17(5-10(11,12)13)9-8(14)7(3)15-16(9)4/h6H,5,14H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine has a molecular weight of 250.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 55011693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).