1-methyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine

C10H17F3N4 — CID 66018896

IUPAC1-methyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCCC(F)(F)F)c1N
InChIInChI=1S/C10H17F3N4/c1-3-4-7-8(14)9(17(2)16-7)15-6-5-10(11,12)13/h15H,3-6,14H2,1-2H3
InChIKeyYCZZBYPWJDVSMT-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.32
Rot. Bonds5

About 1-methyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine

1-methyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine (PubChem CID 66018896) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-methyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
PubChem CID66018896
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC Name1-methyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCCC(F)(F)F)c1N
InChIInChI=1S/C10H17F3N4/c1-3-4-7-8(14)9(17(2)16-7)15-6-5-10(11,12)13/h15H,3-6,14H2,1-2H3
InChIKeyYCZZBYPWJDVSMT-UHFFFAOYSA-N
XLogP2.32
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The IUPAC name of 1-methyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine (CID 66018896) is 1-methyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine is CCCc1nn(C)c(NCCC(F)(F)F)c1N.
What is the InChIKey of 1-methyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The InChIKey is YCZZBYPWJDVSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4/c1-3-4-7-8(14)9(17(2)16-7)15-6-5-10(11,12)13/h15H,3-6,14H2,1-2H3.
What are the key properties of 1-methyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
1-methyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine has a molecular weight of 250.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66018896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).