N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

C19H17N3O3S — CID 3244133

IUPACN-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2nn(C)c3sc(C(=O)NCc4ccco4)cc23)c1
InChIInChI=1S/C19H17N3O3S/c1-22-19-15(17(21-22)12-5-3-6-13(9-12)24-2)10-16(26-19)18(23)20-11-14-7-4-8-25-14/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyBKMYPCTTYCKIGS-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.83
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 3244133) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID3244133
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2nn(C)c3sc(C(=O)NCc4ccco4)cc23)c1
InChIInChI=1S/C19H17N3O3S/c1-22-19-15(17(21-22)12-5-3-6-13(9-12)24-2)10-16(26-19)18(23)20-11-14-7-4-8-25-14/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyBKMYPCTTYCKIGS-UHFFFAOYSA-N
XLogP3.83
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 3244133) is N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is COc1cccc(-c2nn(C)c3sc(C(=O)NCc4ccco4)cc23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is BKMYPCTTYCKIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-22-19-15(17(21-22)12-5-3-6-13(9-12)24-2)10-16(26-19)18(23)20-11-14-7-4-8-25-14/h3-10H,11H2,1-2H3,(H,20,23).
What are the key properties of N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 3244133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).