3,5-dimethyl-1-thiophen-2-ylpyrazol-4-amine

C9H11N3S — CID 83807722

IUPAC3,5-dimethyl-1-thiophen-2-ylpyrazol-4-amine
SMILESCc1nn(-c2cccs2)c(C)c1N
InChIInChI=1S/C9H11N3S/c1-6-9(10)7(2)12(11-6)8-4-3-5-13-8/h3-5H,10H2,1-2H3
InChIKeyPNYWVZIXZGZRFN-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.13
Rot. Bonds1

About 3,5-dimethyl-1-thiophen-2-ylpyrazol-4-amine

3,5-dimethyl-1-thiophen-2-ylpyrazol-4-amine (PubChem CID 83807722) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 3,5-dimethyl-1-thiophen-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-thiophen-2-ylpyrazol-4-amine
PubChem CID83807722
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name3,5-dimethyl-1-thiophen-2-ylpyrazol-4-amine
SMILESCc1nn(-c2cccs2)c(C)c1N
InChIInChI=1S/C9H11N3S/c1-6-9(10)7(2)12(11-6)8-4-3-5-13-8/h3-5H,10H2,1-2H3
InChIKeyPNYWVZIXZGZRFN-UHFFFAOYSA-N
XLogP2.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-1-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 174731394
3,5-Dimethyl-1-(5-nitrothiophen-2-yl)pyrazole
CID 12778222
3,5-Dimethyl-1-thiophen-2-ylpyrazole
CID 23527869
3,5-dimethyl-1-[(thiophen-2-yl)methyl]-1H-pyrazol-4-amine
CID 28412472
1,3,5-trimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 28664397
3,5-Dimethyl-1-(thiophen-3-ylmethyl)-1H-pyrazol-4-amine
CID 43646122
3,5-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 54866423
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 65844583
N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophen-3-amine
CID 66351284
N-[(2,5-dimethylpyrazol-3-yl)methyl]thiophen-3-amine
CID 66351286
3-methyl-2-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 96617884
1-[5-(3,5-Dimethylpyrazol-1-yl)thiophen-2-yl]-3,5-dimethylpyrazole
CID 102044360

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-thiophen-2-ylpyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-thiophen-2-ylpyrazol-4-amine (CID 83807722) is 3,5-dimethyl-1-thiophen-2-ylpyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-thiophen-2-ylpyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-thiophen-2-ylpyrazol-4-amine is Cc1nn(-c2cccs2)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-thiophen-2-ylpyrazol-4-amine?
The InChIKey is PNYWVZIXZGZRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-6-9(10)7(2)12(11-6)8-4-3-5-13-8/h3-5H,10H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-thiophen-2-ylpyrazol-4-amine?
3,5-dimethyl-1-thiophen-2-ylpyrazol-4-amine has a molecular weight of 193.28 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-thiophen-2-ylpyrazol-4-amine is sourced from PubChem (CID 83807722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).