methyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate

C19H21N3O3S — CID 78885487

IUPACmethyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)C(C)C
InChIInChI=1S/C19H21N3O3S/c1-12(2)21(11-17(23)25-4)18(24)16-10-15-13(3)20-22(19(15)26-16)14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3
InChIKeyONWYSZLIQUXAEG-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.42
Rot. Bonds5

About methyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate

methyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate (PubChem CID 78885487) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is methyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate
PubChem CID78885487
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Namemethyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)C(C)C
InChIInChI=1S/C19H21N3O3S/c1-12(2)21(11-17(23)25-4)18(24)16-10-15-13(3)20-22(19(15)26-16)14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3
InChIKeyONWYSZLIQUXAEG-UHFFFAOYSA-N
XLogP3.42
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878059
methyl (2R)-3-methyl-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoate
CID 2520796
N-(3-amino-4-methylpentyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119658366
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27744208
3-methyl-N-[7-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3134145
N-benzyl-N-(2-methoxyethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27826735
methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55781823
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 9372885
3-methyl-1-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096780
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096781

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate (CID 78885487) is methyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)C(C)C.
What is the InChIKey of methyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is ONWYSZLIQUXAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-12(2)21(11-17(23)25-4)18(24)16-10-15-13(3)20-22(19(15)26-16)14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3.
What are the key properties of methyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate?
methyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 371.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 78885487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).