N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide

C20H21N3O2S — CID 121030593

IUPACN-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2c3c(nn2-c2ccc(C)c(C)c2)CSC3)c(C)o1
InChIInChI=1S/C20H21N3O2S/c1-11-5-6-15(7-12(11)2)23-19(17-9-26-10-18(17)22-23)21-20(24)16-8-13(3)25-14(16)4/h5-8H,9-10H2,1-4H3,(H,21,24)
InChIKeyVHVWAKXUQZSBCL-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.70
Rot. Bonds3

About N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide

N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 121030593) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID121030593
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2c3c(nn2-c2ccc(C)c(C)c2)CSC3)c(C)o1
InChIInChI=1S/C20H21N3O2S/c1-11-5-6-15(7-12(11)2)23-19(17-9-26-10-18(17)22-23)21-20(24)16-8-13(3)25-14(16)4/h5-8H,9-10H2,1-4H3,(H,21,24)
InChIKeyVHVWAKXUQZSBCL-UHFFFAOYSA-N
XLogP4.70
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 4121305
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide
CID 5210835
5-chloro-N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
CID 121030616
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethylbutanamide
CID 3428591
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 121030606
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-fluorophenyl)acetamide
CID 4133470
2-fluoro-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4098169
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 121030403
5-bromo-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
CID 4181505
2,5-dichloro-N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4208067
4-chloro-N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3323330
3,4-dimethoxy-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4087525

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide (CID 121030593) is N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2c3c(nn2-c2ccc(C)c(C)c2)CSC3)c(C)o1.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is VHVWAKXUQZSBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-11-5-6-15(7-12(11)2)23-19(17-9-26-10-18(17)22-23)21-20(24)16-8-13(3)25-14(16)4/h5-8H,9-10H2,1-4H3,(H,21,24).
What are the key properties of N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide?
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 121030593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).