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

C9H15N3S — CID 15358849

IUPAC2-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
SMILESCCCCn1nc2c(c1N)CSC2
InChIInChI=1S/C9H15N3S/c1-2-3-4-12-9(10)7-5-13-6-8(7)11-12/h2-6,10H2,1H3
InChIKeyPPEYGPYNSPYMMZ-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.01
Rot. Bonds3

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

2-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine (PubChem CID 15358849) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
PubChem CID15358849
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
SMILESCCCCn1nc2c(c1N)CSC2
InChIInChI=1S/C9H15N3S/c1-2-3-4-12-9(10)7-5-13-6-8(7)11-12/h2-6,10H2,1H3
InChIKeyPPEYGPYNSPYMMZ-UHFFFAOYSA-N
XLogP2.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The IUPAC name of 2-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine (CID 15358849) is 2-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 2-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The canonical SMILES for 2-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine is CCCCn1nc2c(c1N)CSC2.
What is the InChIKey of 2-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The InChIKey is PPEYGPYNSPYMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-2-3-4-12-9(10)7-5-13-6-8(7)11-12/h2-6,10H2,1H3.
What are the key properties of 2-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
2-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine has a molecular weight of 197.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 15358849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).