5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethyl-1-methylpyrazol-4-amine

C13H18N4S — CID 66014353

IUPAC5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(N2CCc3sccc3C2)c1N
InChIInChI=1S/C13H18N4S/c1-3-10-12(14)13(16(2)15-10)17-6-4-11-9(8-17)5-7-18-11/h5,7H,3-4,6,8,14H2,1-2H3
InChIKeyQQCXDFYBXYNHBK-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.19
Rot. Bonds2

About 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethyl-1-methylpyrazol-4-amine

5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 66014353) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethyl-1-methylpyrazol-4-amine
PubChem CID66014353
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(N2CCc3sccc3C2)c1N
InChIInChI=1S/C13H18N4S/c1-3-10-12(14)13(16(2)15-10)17-6-4-11-9(8-17)5-7-18-11/h5,7H,3-4,6,8,14H2,1-2H3
InChIKeyQQCXDFYBXYNHBK-UHFFFAOYSA-N
XLogP2.19
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethyl-1-methylpyrazol-4-amine (CID 66014353) is 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)c(N2CCc3sccc3C2)c1N.
What is the InChIKey of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is QQCXDFYBXYNHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-10-12(14)13(16(2)15-10)17-6-4-11-9(8-17)5-7-18-11/h5,7H,3-4,6,8,14H2,1-2H3.
What are the key properties of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethyl-1-methylpyrazol-4-amine?
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 262.38 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 66014353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).