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

C15H17N3OS — CID 3238449

IUPACN-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
SMILESCCC(=O)Nc1c2c(nn1-c1ccccc1C)CSC2
InChIInChI=1S/C15H17N3OS/c1-3-14(19)16-15-11-8-20-9-12(11)17-18(15)13-7-5-4-6-10(13)2/h4-7H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyGHCQQPDRZPOLSG-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.28
Rot. Bonds3

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

N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide (PubChem CID 3238449) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
PubChem CID3238449
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
SMILESCCC(=O)Nc1c2c(nn1-c1ccccc1C)CSC2
InChIInChI=1S/C15H17N3OS/c1-3-14(19)16-15-11-8-20-9-12(11)17-18(15)13-7-5-4-6-10(13)2/h4-7H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyGHCQQPDRZPOLSG-UHFFFAOYSA-N
XLogP3.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The IUPAC name of N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide (CID 3238449) is N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide.
What is the SMILES notation for N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The canonical SMILES for N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide is CCC(=O)Nc1c2c(nn1-c1ccccc1C)CSC2.
What is the InChIKey of N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The InChIKey is GHCQQPDRZPOLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-3-14(19)16-15-11-8-20-9-12(11)17-18(15)13-7-5-4-6-10(13)2/h4-7H,3,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide has a molecular weight of 287.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide is sourced from PubChem (CID 3238449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).