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

C17H21N3OS — CID 3470024

IUPACN-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)C(C)C)CSC3)c(C)c1
InChIInChI=1S/C17H21N3OS/c1-10(2)17(21)18-16-13-8-22-9-14(13)19-20(16)15-6-5-11(3)7-12(15)4/h5-7,10H,8-9H2,1-4H3,(H,18,21)
InChIKeyGECBFMPWOWQEHD-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.83
Rot. Bonds3

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

N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide (PubChem CID 3470024) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
PubChem CID3470024
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)C(C)C)CSC3)c(C)c1
InChIInChI=1S/C17H21N3OS/c1-10(2)17(21)18-16-13-8-22-9-14(13)19-20(16)15-6-5-11(3)7-12(15)4/h5-7,10H,8-9H2,1-4H3,(H,18,21)
InChIKeyGECBFMPWOWQEHD-UHFFFAOYSA-N
XLogP3.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide (CID 3470024) is N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide is Cc1ccc(-n2nc3c(c2NC(=O)C(C)C)CSC3)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide?
The InChIKey is GECBFMPWOWQEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-10(2)17(21)18-16-13-8-22-9-14(13)19-20(16)15-6-5-11(3)7-12(15)4/h5-7,10H,8-9H2,1-4H3,(H,18,21).
What are the key properties of N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide?
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide has a molecular weight of 315.44 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 3470024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).