1-ethyl-3-methyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine

C10H15N5S — CID 66013608

IUPAC1-ethyl-3-methyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCc1nccs1
InChIInChI=1S/C10H15N5S/c1-3-15-10(9(11)7(2)14-15)13-6-8-12-4-5-16-8/h4-5,13H,3,6,11H2,1-2H3
InChIKeyJRSMEGGIILOFPD-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.86
Rot. Bonds4

About 1-ethyl-3-methyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine

1-ethyl-3-methyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine (PubChem CID 66013608) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine
PubChem CID66013608
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name1-ethyl-3-methyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCc1nccs1
InChIInChI=1S/C10H15N5S/c1-3-15-10(9(11)7(2)14-15)13-6-8-12-4-5-16-8/h4-5,13H,3,6,11H2,1-2H3
InChIKeyJRSMEGGIILOFPD-UHFFFAOYSA-N
XLogP1.86
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine (CID 66013608) is 1-ethyl-3-methyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine is CCn1nc(C)c(N)c1NCc1nccs1.
What is the InChIKey of 1-ethyl-3-methyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine?
The InChIKey is JRSMEGGIILOFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-3-15-10(9(11)7(2)14-15)13-6-8-12-4-5-16-8/h4-5,13H,3,6,11H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine has a molecular weight of 237.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66013608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).