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

C17H20N4O3S — CID 7676250

IUPACN-[(2R)-2-hydroxypropyl]-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)C(=O)NC[C@@H](C)O)CSC3)cc1
InChIInChI=1S/C17H20N4O3S/c1-10-3-5-12(6-4-10)21-15(13-8-25-9-14(13)20-21)19-17(24)16(23)18-7-11(2)22/h3-6,11,22H,7-9H2,1-2H3,(H,18,23)(H,19,24)/t11-/m1/s1
InChIKeyBBXMSBWQXWCBDH-LLVKDONJSA-N
MW360.44 g/mol
LogP1.36
Rot. Bonds4

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

N-[(2R)-2-hydroxypropyl]-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide (PubChem CID 7676250) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
PubChem CID7676250
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[(2R)-2-hydroxypropyl]-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)C(=O)NC[C@@H](C)O)CSC3)cc1
InChIInChI=1S/C17H20N4O3S/c1-10-3-5-12(6-4-10)21-15(13-8-25-9-14(13)20-21)19-17(24)16(23)18-7-11(2)22/h3-6,11,22H,7-9H2,1-2H3,(H,18,23)(H,19,24)/t11-/m1/s1
InChIKeyBBXMSBWQXWCBDH-LLVKDONJSA-N
XLogP1.36
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-hydroxypropyl]-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 7676251
N-[(2S)-2-hydroxypropyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide
CID 7673285
N-(3-methylbutyl)-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 7676239
N'-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[(2S)-2-hydroxypropyl]oxamide
CID 7685378
N'-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[(2R)-2-hydroxypropyl]oxamide
CID 7685377
N'-[(2S)-butan-2-yl]-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 7676237
ethyl 2-[[2-[[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-2-oxoacetyl]amino]acetate
CID 7676262
N-(furan-2-ylmethyl)-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 7676321
N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)oxamide
CID 7676279
N-cycloheptyl-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 7676301
N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 18584350
N'-[(2R)-butan-2-yl]-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide
CID 7423844

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide (CID 7676250) is N-[(2R)-2-hydroxypropyl]-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide is Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NC[C@@H](C)O)CSC3)cc1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide?
The InChIKey is BBXMSBWQXWCBDH-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-10-3-5-12(6-4-10)21-15(13-8-25-9-14(13)20-21)19-17(24)16(23)18-7-11(2)22/h3-6,11,22H,7-9H2,1-2H3,(H,18,23)(H,19,24)/t11-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide?
N-[(2R)-2-hydroxypropyl]-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide has a molecular weight of 360.44 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide is sourced from PubChem (CID 7676250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).