2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole

C9H12N2S — CID 163475702

IUPAC2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCC1=NN(C)C(c2cccs2)C1
InChIInChI=1S/C9H12N2S/c1-7-6-8(11(2)10-7)9-4-3-5-12-9/h3-5,8H,6H2,1-2H3
InChIKeyCAFBZVFZXQOUBW-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.50
Rot. Bonds1

About 2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole

2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 163475702) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID163475702
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCC1=NN(C)C(c2cccs2)C1
InChIInChI=1S/C9H12N2S/c1-7-6-8(11(2)10-7)9-4-3-5-12-9/h3-5,8H,6H2,1-2H3
InChIKeyCAFBZVFZXQOUBW-UHFFFAOYSA-N
XLogP2.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 124740412
5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 91614710
5-(2-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 119038816
3-(4-fluorophenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 17067731
2-(2,6-dimethylanilino)-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 119032207
(3R)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 846221
1-[(3S)-5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 100659692
1-butyl-2-thiophen-2-ylpyrrolidine
CID 102544357
[(2S,5R)-1-methyl-5-thiophen-2-ylpyrrolidin-2-yl]methanol
CID 102244531
3-(4-methoxyphenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 17067724
1-butyl-2-thiophen-2-ylpiperidine
CID 102544362
1-(3-methylphenyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine
CID 79505674

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole (CID 163475702) is 2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole is CC1=NN(C)C(c2cccs2)C1.
What is the InChIKey of 2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is CAFBZVFZXQOUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-7-6-8(11(2)10-7)9-4-3-5-12-9/h3-5,8H,6H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole?
2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 180.28 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 163475702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).