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

C20H26N4O2S — CID 7685328

IUPACN-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1c2c(nn1-c1ccccc1C)CSC2
InChIInChI=1S/C20H26N4O2S/c1-4-10-23(11-5-2)20(26)19(25)21-18-15-12-27-13-16(15)22-24(18)17-9-7-6-8-14(17)3/h6-9H,4-5,10-13H2,1-3H3,(H,21,25)
InChIKeyBLFMSIVASGGIIR-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.51
Rot. Bonds6

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

N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N',N'-dipropyloxamide (PubChem CID 7685328) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N',N'-dipropyloxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N',N'-dipropyloxamide
PubChem CID7685328
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1c2c(nn1-c1ccccc1C)CSC2
InChIInChI=1S/C20H26N4O2S/c1-4-10-23(11-5-2)20(26)19(25)21-18-15-12-27-13-16(15)22-24(18)17-9-7-6-8-14(17)3/h6-9H,4-5,10-13H2,1-3H3,(H,21,25)
InChIKeyBLFMSIVASGGIIR-UHFFFAOYSA-N
XLogP3.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(2R)-1-hydroxybutan-2-yl]-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 7685238
N-benzyl-N'-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 7685305
N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide
CID 7685350
2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4577716
N'-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)oxamide
CID 18584362
2-benzylsulfanyl-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 3297965
3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 121030584
N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,5-bis(trifluoromethyl)benzamide
CID 40868633
N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 4129195
3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 7484337
N'-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]oxamide
CID 7685279
N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
CID 756282

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N',N'-dipropyloxamide?
The IUPAC name of N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N',N'-dipropyloxamide (CID 7685328) is N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N',N'-dipropyloxamide.
What is the SMILES notation for N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N',N'-dipropyloxamide?
The canonical SMILES for N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N',N'-dipropyloxamide is CCCN(CCC)C(=O)C(=O)Nc1c2c(nn1-c1ccccc1C)CSC2.
What is the InChIKey of N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N',N'-dipropyloxamide?
The InChIKey is BLFMSIVASGGIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-4-10-23(11-5-2)20(26)19(25)21-18-15-12-27-13-16(15)22-24(18)17-9-7-6-8-14(17)3/h6-9H,4-5,10-13H2,1-3H3,(H,21,25).
What are the key properties of N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N',N'-dipropyloxamide?
N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N',N'-dipropyloxamide has a molecular weight of 386.52 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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]-N',N'-dipropyloxamide is sourced from PubChem (CID 7685328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).