5-bromo-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide

C14H16BrN3O2S — CID 3626019

IUPAC5-bromo-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)c1ccc(Br)o1)CSC2
InChIInChI=1S/C14H16BrN3O2S/c1-14(2,3)18-12(8-6-21-7-9(8)17-18)16-13(19)10-4-5-11(15)20-10/h4-5H,6-7H2,1-3H3,(H,16,19)
InChIKeyCQTCAXHGBKQRFP-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.99
Rot. Bonds2

About 5-bromo-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide

5-bromo-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide (PubChem CID 3626019) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 5-bromo-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
PubChem CID3626019
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name5-bromo-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)c1ccc(Br)o1)CSC2
InChIInChI=1S/C14H16BrN3O2S/c1-14(2,3)18-12(8-6-21-7-9(8)17-18)16-13(19)10-4-5-11(15)20-10/h4-5H,6-7H2,1-3H3,(H,16,19)
InChIKeyCQTCAXHGBKQRFP-UHFFFAOYSA-N
XLogP3.99
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide (CID 3626019) is 5-bromo-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide is CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Br)o1)CSC2.
What is the InChIKey of 5-bromo-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
The InChIKey is CQTCAXHGBKQRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-14(2,3)18-12(8-6-21-7-9(8)17-18)16-13(19)10-4-5-11(15)20-10/h4-5H,6-7H2,1-3H3,(H,16,19).
What are the key properties of 5-bromo-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
5-bromo-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide has a molecular weight of 370.27 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 3626019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).