N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide

C16H19N3OS — CID 3315959

IUPACN-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
SMILESCCCC(=O)Nc1c2c(nn1-c1ccc(C)cc1)CSC2
InChIInChI=1S/C16H19N3OS/c1-3-4-15(20)17-16-13-9-21-10-14(13)18-19(16)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKeyORBPOVMWSSOGJU-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.67
Rot. Bonds4

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

N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide (PubChem CID 3315959) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
PubChem CID3315959
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
SMILESCCCC(=O)Nc1c2c(nn1-c1ccc(C)cc1)CSC2
InChIInChI=1S/C16H19N3OS/c1-3-4-15(20)17-16-13-9-21-10-14(13)18-19(16)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKeyORBPOVMWSSOGJU-UHFFFAOYSA-N
XLogP3.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
The IUPAC name of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide (CID 3315959) is N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
The canonical SMILES for N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide is CCCC(=O)Nc1c2c(nn1-c1ccc(C)cc1)CSC2.
What is the InChIKey of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
The InChIKey is ORBPOVMWSSOGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-3-4-15(20)17-16-13-9-21-10-14(13)18-19(16)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide has a molecular weight of 301.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide is sourced from PubChem (CID 3315959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).