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

C9H15F3N4 — CID 66011692

IUPAC1-ethyl-3-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCCC(F)(F)F
InChIInChI=1S/C9H15F3N4/c1-3-16-8(7(13)6(2)15-16)14-5-4-9(10,11)12/h14H,3-5,13H2,1-2H3
InChIKeyOYZUJPZXCXPDAP-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.16
Rot. Bonds4

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

1-ethyl-3-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine (PubChem CID 66011692) has the molecular formula C9H15F3N4 and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
PubChem CID66011692
Molecular FormulaC9H15F3N4
Molecular Weight236.24 g/mol
Exact Mass236.12
IUPAC Name1-ethyl-3-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCCC(F)(F)F
InChIInChI=1S/C9H15F3N4/c1-3-16-8(7(13)6(2)15-16)14-5-4-9(10,11)12/h14H,3-5,13H2,1-2H3
InChIKeyOYZUJPZXCXPDAP-UHFFFAOYSA-N
XLogP2.16
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine (CID 66011692) is 1-ethyl-3-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine is CCn1nc(C)c(N)c1NCCC(F)(F)F.
What is the InChIKey of 1-ethyl-3-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The InChIKey is OYZUJPZXCXPDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4/c1-3-16-8(7(13)6(2)15-16)14-5-4-9(10,11)12/h14H,3-5,13H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine has a molecular weight of 236.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66011692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).