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

C11H19F3N4 — CID 66018327

IUPAC5-N,1-dimethyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)CCC(F)(F)F)c1N
InChIInChI=1S/C11H19F3N4/c1-4-5-8-9(15)10(18(3)16-8)17(2)7-6-11(12,13)14/h4-7,15H2,1-3H3
InChIKeyYXMMNONTYWFWKS-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.34
Rot. Bonds5

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

5-N,1-dimethyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine (PubChem CID 66018327) has the molecular formula C11H19F3N4 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-N,1-dimethyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,1-dimethyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
PubChem CID66018327
Molecular FormulaC11H19F3N4
Molecular Weight264.29 g/mol
Exact Mass264.16
IUPAC Name5-N,1-dimethyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)CCC(F)(F)F)c1N
InChIInChI=1S/C11H19F3N4/c1-4-5-8-9(15)10(18(3)16-8)17(2)7-6-11(12,13)14/h4-7,15H2,1-3H3
InChIKeyYXMMNONTYWFWKS-UHFFFAOYSA-N
XLogP2.34
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N,1-dimethyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The IUPAC name of 5-N,1-dimethyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine (CID 66018327) is 5-N,1-dimethyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine.
What is the SMILES notation for 5-N,1-dimethyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The canonical SMILES for 5-N,1-dimethyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine is CCCc1nn(C)c(N(C)CCC(F)(F)F)c1N.
What is the InChIKey of 5-N,1-dimethyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The InChIKey is YXMMNONTYWFWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-4-5-8-9(15)10(18(3)16-8)17(2)7-6-11(12,13)14/h4-7,15H2,1-3H3.
What are the key properties of 5-N,1-dimethyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
5-N,1-dimethyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine has a molecular weight of 264.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,1-dimethyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66018327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).