3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C22H24N4O3S — CID 66819147

IUPAC3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NC3CCC(N4CCOC4=O)CC3)cc12
InChIInChI=1S/C22H24N4O3S/c1-14-18-13-19(30-21(18)26(24-14)17-5-3-2-4-6-17)20(27)23-15-7-9-16(10-8-15)25-11-12-29-22(25)28/h2-6,13,15-16H,7-12H2,1H3,(H,23,27)
InChIKeyYCXATUFYETWVEJ-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.89
Rot. Bonds4

About 3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 66819147) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID66819147
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NC3CCC(N4CCOC4=O)CC3)cc12
InChIInChI=1S/C22H24N4O3S/c1-14-18-13-19(30-21(18)26(24-14)17-5-3-2-4-6-17)20(27)23-15-7-9-16(10-8-15)25-11-12-29-22(25)28/h2-6,13,15-16H,7-12H2,1H3,(H,23,27)
InChIKeyYCXATUFYETWVEJ-UHFFFAOYSA-N
XLogP3.89
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamic acid
CID 66819242
N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819473
N-[4-(4-methoxypiperidin-1-yl)cyclohexyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819697
methyl 4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 66819290
3-methyl-1-phenyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119450686
1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 947337
N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 48505983
[methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate
CID 89437726
cis-(1R,3R)-1-methyl-3-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66819487
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 4015786
3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 2001164

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 66819147) is 3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)NC3CCC(N4CCOC4=O)CC3)cc12.
What is the InChIKey of 3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is YCXATUFYETWVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-14-18-13-19(30-21(18)26(24-14)17-5-3-2-4-6-17)20(27)23-15-7-9-16(10-8-15)25-11-12-29-22(25)28/h2-6,13,15-16H,7-12H2,1H3,(H,23,27).
What are the key properties of 3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 66819147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).