1-methyl-3-propan-2-yl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine

C10H16F4N4 — CID 106289812

IUPAC1-methyl-3-propan-2-yl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCC(F)(F)C(F)F)c1N
InChIInChI=1S/C10H16F4N4/c1-5(2)7-6(15)8(18(3)17-7)16-4-10(13,14)9(11)12/h5,9,16H,4,15H2,1-3H3
InChIKeyJBPBSYLAUCULAK-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.44
Rot. Bonds5

About 1-methyl-3-propan-2-yl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine

1-methyl-3-propan-2-yl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine (PubChem CID 106289812) has the molecular formula C10H16F4N4 and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine
PubChem CID106289812
Molecular FormulaC10H16F4N4
Molecular Weight268.26 g/mol
Exact Mass268.13
IUPAC Name1-methyl-3-propan-2-yl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCC(F)(F)C(F)F)c1N
InChIInChI=1S/C10H16F4N4/c1-5(2)7-6(15)8(18(3)17-7)16-4-10(13,14)9(11)12/h5,9,16H,4,15H2,1-3H3
InChIKeyJBPBSYLAUCULAK-UHFFFAOYSA-N
XLogP2.44
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine?
The IUPAC name of 1-methyl-3-propan-2-yl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine (CID 106289812) is 1-methyl-3-propan-2-yl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine is CC(C)c1nn(C)c(NCC(F)(F)C(F)F)c1N.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine?
The InChIKey is JBPBSYLAUCULAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N4/c1-5(2)7-6(15)8(18(3)17-7)16-4-10(13,14)9(11)12/h5,9,16H,4,15H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine?
1-methyl-3-propan-2-yl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine has a molecular weight of 268.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine is sourced from PubChem (CID 106289812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).