1-propan-2-yl-3-thiophen-3-ylpyrazole

C10H12N2S — CID 89311122

IUPAC1-propan-2-yl-3-thiophen-3-ylpyrazole
SMILESCC(C)n1ccc(-c2ccsc2)n1
InChIInChI=1S/C10H12N2S/c1-8(2)12-5-3-10(11-12)9-4-6-13-7-9/h3-8H,1-2H3
InChIKeyDJTNXOUMWVTIQA-UHFFFAOYSA-N
MW192.29 g/mol
LogP3.19
Rot. Bonds2

About 1-propan-2-yl-3-thiophen-3-ylpyrazole

1-propan-2-yl-3-thiophen-3-ylpyrazole (PubChem CID 89311122) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 1-propan-2-yl-3-thiophen-3-ylpyrazole.

Molecular Properties

Compound Name1-propan-2-yl-3-thiophen-3-ylpyrazole
PubChem CID89311122
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name1-propan-2-yl-3-thiophen-3-ylpyrazole
SMILESCC(C)n1ccc(-c2ccsc2)n1
InChIInChI=1S/C10H12N2S/c1-8(2)12-5-3-10(11-12)9-4-6-13-7-9/h3-8H,1-2H3
InChIKeyDJTNXOUMWVTIQA-UHFFFAOYSA-N
XLogP3.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-1-propan-2-ylpyrazole
CID 176678956
(3-thiophen-3-ylpyrazol-1-yl)methanol
CID 121211936
4-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine
CID 146510649
4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one
CID 154869277
3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole
CID 174113164
2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid
CID 122239458
1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105154877
1-(4-thiophen-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62091887
2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole
CID 75468243
5-(1-propan-2-ylpyrazol-3-yl)-1H-indole
CID 71071918
N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105154784
1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine
CID 121214181

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-thiophen-3-ylpyrazole?
The IUPAC name of 1-propan-2-yl-3-thiophen-3-ylpyrazole (CID 89311122) is 1-propan-2-yl-3-thiophen-3-ylpyrazole.
What is the SMILES notation for 1-propan-2-yl-3-thiophen-3-ylpyrazole?
The canonical SMILES for 1-propan-2-yl-3-thiophen-3-ylpyrazole is CC(C)n1ccc(-c2ccsc2)n1.
What is the InChIKey of 1-propan-2-yl-3-thiophen-3-ylpyrazole?
The InChIKey is DJTNXOUMWVTIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-8(2)12-5-3-10(11-12)9-4-6-13-7-9/h3-8H,1-2H3.
What are the key properties of 1-propan-2-yl-3-thiophen-3-ylpyrazole?
1-propan-2-yl-3-thiophen-3-ylpyrazole has a molecular weight of 192.29 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-thiophen-3-ylpyrazole is sourced from PubChem (CID 89311122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).