5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(thiophen-3-ylmethyl)pyrazole-4,5-diamine

C14H20N4S — CID 66015805

IUPAC5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(thiophen-3-ylmethyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(N(Cc2ccsc2)C2CC2)c1N
InChIInChI=1S/C14H20N4S/c1-3-12-13(15)14(17(2)16-12)18(11-4-5-11)8-10-6-7-19-9-10/h6-7,9,11H,3-5,8,15H2,1-2H3
InChIKeyPTEMSOOKQBHICW-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.80
Rot. Bonds5

About 5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(thiophen-3-ylmethyl)pyrazole-4,5-diamine

5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(thiophen-3-ylmethyl)pyrazole-4,5-diamine (PubChem CID 66015805) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(thiophen-3-ylmethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(thiophen-3-ylmethyl)pyrazole-4,5-diamine
PubChem CID66015805
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(thiophen-3-ylmethyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(N(Cc2ccsc2)C2CC2)c1N
InChIInChI=1S/C14H20N4S/c1-3-12-13(15)14(17(2)16-12)18(11-4-5-11)8-10-6-7-19-9-10/h6-7,9,11H,3-5,8,15H2,1-2H3
InChIKeyPTEMSOOKQBHICW-UHFFFAOYSA-N
XLogP2.80
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986678
6-N-cyclopropyl-6-N-(thiophen-3-ylmethyl)quinoline-5,6-diamine
CID 61433524
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 61433428
2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
CID 79173041
3-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1H-1,2,4-triazole-5-thione
CID 61434903
3-N-cyclopropyl-5-propoxy-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 80724659
5-N-cyclopropyl-1-methyl-5-N-(2-methylpropyl)-3-propylpyrazole-4,5-diamine
CID 66018877
4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325687
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266
6-bromo-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 116796613
4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine
CID 80779786
6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80938379

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(thiophen-3-ylmethyl)pyrazole-4,5-diamine?
The IUPAC name of 5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(thiophen-3-ylmethyl)pyrazole-4,5-diamine (CID 66015805) is 5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(thiophen-3-ylmethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(thiophen-3-ylmethyl)pyrazole-4,5-diamine?
The canonical SMILES for 5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(thiophen-3-ylmethyl)pyrazole-4,5-diamine is CCc1nn(C)c(N(Cc2ccsc2)C2CC2)c1N.
What is the InChIKey of 5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(thiophen-3-ylmethyl)pyrazole-4,5-diamine?
The InChIKey is PTEMSOOKQBHICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-12-13(15)14(17(2)16-12)18(11-4-5-11)8-10-6-7-19-9-10/h6-7,9,11H,3-5,8,15H2,1-2H3.
What are the key properties of 5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(thiophen-3-ylmethyl)pyrazole-4,5-diamine?
5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(thiophen-3-ylmethyl)pyrazole-4,5-diamine has a molecular weight of 276.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(thiophen-3-ylmethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66015805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).