3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine

C13H21N5S — CID 106036104

IUPAC3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCCc1csc(C)n1
InChIInChI=1S/C13H21N5S/c1-4-7-18-13(12(14)9(2)17-18)15-6-5-11-8-19-10(3)16-11/h8,15H,4-7,14H2,1-3H3
InChIKeyZMCPYJHZMLTLKT-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.60
Rot. Bonds6

About 3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine

3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine (PubChem CID 106036104) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine
PubChem CID106036104
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCCc1csc(C)n1
InChIInChI=1S/C13H21N5S/c1-4-7-18-13(12(14)9(2)17-18)15-6-5-11-8-19-10(3)16-11/h8,15H,4-7,14H2,1-3H3
InChIKeyZMCPYJHZMLTLKT-UHFFFAOYSA-N
XLogP2.60
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66028755
5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029181
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide
CID 66028394
1,3-dimethyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrazole-4-carboxylic acid
CID 106042814
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-methylpropan-1-ol
CID 66029551
5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 106007196
4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485633
3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine
CID 66027834
5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029529
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 61282234
5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041870
5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027995

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine?
The IUPAC name of 3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine (CID 106036104) is 3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1NCCc1csc(C)n1.
What is the InChIKey of 3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine?
The InChIKey is ZMCPYJHZMLTLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-4-7-18-13(12(14)9(2)17-18)15-6-5-11-8-19-10(3)16-11/h8,15H,4-7,14H2,1-3H3.
What are the key properties of 3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine?
3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine has a molecular weight of 279.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 106036104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).