3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine

C12H17N3S — CID 115923197

IUPAC3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)c1cccs1
InChIInChI=1S/C12H17N3S/c1-4-10-11(8-15(3)14-10)13-9(2)12-6-5-7-16-12/h5-9,13H,4H2,1-3H3
InChIKeyWYZTWIMOJYHUSE-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.22
Rot. Bonds4

About 3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine

3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine (PubChem CID 115923197) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine
PubChem CID115923197
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)c1cccs1
InChIInChI=1S/C12H17N3S/c1-4-10-11(8-15(3)14-10)13-9(2)12-6-5-7-16-12/h5-9,13H,4H2,1-3H3
InChIKeyWYZTWIMOJYHUSE-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine
CID 66015588
3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine
CID 103932470
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 113354221
[(3-ethyl-1-methylpyrazol-4-yl)-thiophen-2-ylmethyl]hydrazine
CID 102813003
3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine
CID 115923153
3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine
CID 115923160
1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine
CID 104955785
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103932506
3-ethyl-1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazol-4-amine
CID 103932553
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 107462393
3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine
CID 139018917
(1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399161

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine (CID 115923197) is 3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine is CCc1nn(C)cc1NC(C)c1cccs1.
What is the InChIKey of 3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine?
The InChIKey is WYZTWIMOJYHUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-4-10-11(8-15(3)14-10)13-9(2)12-6-5-7-16-12/h5-9,13H,4H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine?
3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine has a molecular weight of 235.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine is sourced from PubChem (CID 115923197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).