2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine

C9H15N3S — CID 2049329

IUPAC2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
SMILESCC(C)(C)n1nc2c(c1N)CSC2
InChIInChI=1S/C9H15N3S/c1-9(2,3)12-8(10)6-4-13-5-7(6)11-12/h4-5,10H2,1-3H3
InChIKeySRQDHVKBHBYCHI-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.97
Rot. Bonds

About 2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine

2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine (PubChem CID 2049329) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
PubChem CID2049329
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
SMILESCC(C)(C)n1nc2c(c1N)CSC2
InChIInChI=1S/C9H15N3S/c1-9(2,3)12-8(10)6-4-13-5-7(6)11-12/h4-5,10H2,1-3H3
InChIKeySRQDHVKBHBYCHI-UHFFFAOYSA-N
XLogP1.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-2,6-dihydro-4H-thieno(3,4-c)pyrazol-3-amine
CID 45121297
N-(2-(tert-butyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)propionamide
CID 3565915
N-(2-(tert-butyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)butyramide
CID 3412016
N-(2-(tert-butyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)pivalamide
CID 5094734
N-(2-(tert-butyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
CID 4451750
5-Amino-1-tert-butyl-3-methylpyrazole-4-carbothioamide
CID 13496611
N-(2-(tert-butyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)acetamide
CID 5235427
2-Butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
CID 15358849
2-Ethyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
CID 100917390
2-Propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
CID 59050134
5-Oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
CID 59050136
5,5-Dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
CID 59050152

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The IUPAC name of 2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine (CID 2049329) is 2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The canonical SMILES for 2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine is CC(C)(C)n1nc2c(c1N)CSC2.
What is the InChIKey of 2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The InChIKey is SRQDHVKBHBYCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-9(2,3)12-8(10)6-4-13-5-7(6)11-12/h4-5,10H2,1-3H3.
What are the key properties of 2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine has a molecular weight of 197.31 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 2049329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).