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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Related Compounds

1,3-dimethyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine
CID 61285224
1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine
CID 66012067
2-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-3-amine
CID 131131813
1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine
CID 66013633
1-ethyl-3-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4,5-diamine
CID 66013825
5-N-(2-ethoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012621
5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66013047
1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79304809
1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine
CID 66011030
3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol
CID 66012284
1,3-dimethyl-4-nitro-N-(1,3-thiazol-2-ylmethyl)pyrazol-5-amine
CID 61283486
1-ethyl-3-methyl-5-N-(thian-4-ylmethyl)pyrazole-4,5-diamine
CID 113487270

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).