1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one

C12H14N2OS — CID 105101493

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one
SMILESCc1cc(C(=O)CCc2cccs2)n(C)n1
InChIInChI=1S/C12H14N2OS/c1-9-8-11(14(2)13-9)12(15)6-5-10-4-3-7-16-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUVMAIXPNSQUTIU-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.61
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one

1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one (PubChem CID 105101493) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one
PubChem CID105101493
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one
SMILESCc1cc(C(=O)CCc2cccs2)n(C)n1
InChIInChI=1S/C12H14N2OS/c1-9-8-11(14(2)13-9)12(15)6-5-10-4-3-7-16-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUVMAIXPNSQUTIU-UHFFFAOYSA-N
XLogP2.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethylpyrazol-3-yl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid
CID 166266184
1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone
CID 105110466
methyl 1,3-dimethyl-4-(3-thiophen-2-ylpropanoylamino)pyrazole-5-carboxylate
CID 75358478
N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97247908
1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973203
1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one
CID 114973168
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
1-methyl-3-(2-thiophen-2-ylethyl)pyrazol-5-amine
CID 82077522
1-(3-bromo-2-methylphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973264
N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide
CID 134698261
(2,5-dimethylpyrazol-3-yl)-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 167967948
3,5-dimethyl-1-[1-(2-thiophen-2-ylethyl)azetidin-3-yl]pyrazole
CID 56781747

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one (CID 105101493) is 1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one is Cc1cc(C(=O)CCc2cccs2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is UVMAIXPNSQUTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9-8-11(14(2)13-9)12(15)6-5-10-4-3-7-16-10/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one?
1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 234.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 105101493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).