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

C10H17F3N4 — CID 66023704

IUPAC3-methyl-1-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCCC(F)(F)F)c1N
InChIInChI=1S/C10H17F3N4/c1-6(2)17-9(8(14)7(3)16-17)15-5-4-10(11,12)13/h6,15H,4-5,14H2,1-3H3
InChIKeyPQQUEZIWJIOIFH-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.72
Rot. Bonds4

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

3-methyl-1-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine (PubChem CID 66023704) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
PubChem CID66023704
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC Name3-methyl-1-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCCC(F)(F)F)c1N
InChIInChI=1S/C10H17F3N4/c1-6(2)17-9(8(14)7(3)16-17)15-5-4-10(11,12)13/h6,15H,4-5,14H2,1-3H3
InChIKeyPQQUEZIWJIOIFH-UHFFFAOYSA-N
XLogP2.72
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The IUPAC name of 3-methyl-1-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine (CID 66023704) is 3-methyl-1-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-1-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-1-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine is Cc1nn(C(C)C)c(NCCC(F)(F)F)c1N.
What is the InChIKey of 3-methyl-1-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The InChIKey is PQQUEZIWJIOIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4/c1-6(2)17-9(8(14)7(3)16-17)15-5-4-10(11,12)13/h6,15H,4-5,14H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
3-methyl-1-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine has a molecular weight of 250.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66023704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).