5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine

C16H24N4 — CID 66017913

IUPAC5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)c2ccc(CC)cc2)c1N
InChIInChI=1S/C16H24N4/c1-5-7-14-15(17)16(20(4)18-14)19(3)13-10-8-12(6-2)9-11-13/h8-11H,5-7,17H2,1-4H3
InChIKeyXYGWBEKZAKXKED-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.29
Rot. Bonds5

About 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine

5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine (PubChem CID 66017913) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
PubChem CID66017913
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)c2ccc(CC)cc2)c1N
InChIInChI=1S/C16H24N4/c1-5-7-14-15(17)16(20(4)18-14)19(3)13-10-8-12(6-2)9-11-13/h8-11H,5-7,17H2,1-4H3
InChIKeyXYGWBEKZAKXKED-UHFFFAOYSA-N
XLogP3.29
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine (CID 66017913) is 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(N(C)c2ccc(CC)cc2)c1N.
What is the InChIKey of 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?
The InChIKey is XYGWBEKZAKXKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-7-14-15(17)16(20(4)18-14)19(3)13-10-8-12(6-2)9-11-13/h8-11H,5-7,17H2,1-4H3.
What are the key properties of 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?
5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine has a molecular weight of 272.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66017913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).