4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine

C12H17N3S — CID 103009775

IUPAC4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine
SMILESCn1nccc1CCC(N)Cc1cccs1
InChIInChI=1S/C12H17N3S/c1-15-11(6-7-14-15)5-4-10(13)9-12-3-2-8-16-12/h2-3,6-8,10H,4-5,9,13H2,1H3
InChIKeyJSUTZJHROMNOHB-UHFFFAOYSA-N
MW235.36 g/mol
LogP1.98
Rot. Bonds5

About 4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine

4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine (PubChem CID 103009775) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine
PubChem CID103009775
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine
SMILESCn1nccc1CCC(N)Cc1cccs1
InChIInChI=1S/C12H17N3S/c1-15-11(6-7-14-15)5-4-10(13)9-12-3-2-8-16-12/h2-3,6-8,10H,4-5,9,13H2,1H3
InChIKeyJSUTZJHROMNOHB-UHFFFAOYSA-N
XLogP1.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 113442346
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103008961
1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030412
4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine
CID 103010442
1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 19626588
1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030498
1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030755
1-thiophen-2-yltridecan-2-amine
CID 65428259
5,5-dimethyl-1-thiophen-2-ylhexan-2-amine
CID 62604909
1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030537
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine (CID 103009775) is 4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine is Cn1nccc1CCC(N)Cc1cccs1.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine?
The InChIKey is JSUTZJHROMNOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-15-11(6-7-14-15)5-4-10(13)9-12-3-2-8-16-12/h2-3,6-8,10H,4-5,9,13H2,1H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine?
4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine has a molecular weight of 235.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 103009775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).