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

C10H17F3N4 — CID 66013855

IUPAC3-ethyl-5-N,1-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(N(C)CCC(F)(F)F)c1N
InChIInChI=1S/C10H17F3N4/c1-4-7-8(14)9(17(3)15-7)16(2)6-5-10(11,12)13/h4-6,14H2,1-3H3
InChIKeyYERNEQSAEZGRQC-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.95
Rot. Bonds4

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

3-ethyl-5-N,1-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine (PubChem CID 66013855) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-ethyl-5-N,1-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-5-N,1-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
PubChem CID66013855
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC Name3-ethyl-5-N,1-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(N(C)CCC(F)(F)F)c1N
InChIInChI=1S/C10H17F3N4/c1-4-7-8(14)9(17(3)15-7)16(2)6-5-10(11,12)13/h4-6,14H2,1-3H3
InChIKeyYERNEQSAEZGRQC-UHFFFAOYSA-N
XLogP1.95
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-N,1-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-5-N,1-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine (CID 66013855) is 3-ethyl-5-N,1-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-5-N,1-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-5-N,1-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine is CCc1nn(C)c(N(C)CCC(F)(F)F)c1N.
What is the InChIKey of 3-ethyl-5-N,1-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The InChIKey is YERNEQSAEZGRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4/c1-4-7-8(14)9(17(3)15-7)16(2)6-5-10(11,12)13/h4-6,14H2,1-3H3.
What are the key properties of 3-ethyl-5-N,1-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
3-ethyl-5-N,1-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine has a molecular weight of 250.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-N,1-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66013855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).