N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C22H21N3O3S — CID 55577361

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(OC)c1
InChIInChI=1S/C22H21N3O3S/c1-14-18-12-20(29-22(18)25(24-14)16-7-5-4-6-8-16)21(26)23-13-15-9-10-17(27-2)11-19(15)28-3/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeyANVSYZMNJULEIN-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.34
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 55577361) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID55577361
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(OC)c1
InChIInChI=1S/C22H21N3O3S/c1-14-18-12-20(29-22(18)25(24-14)16-7-5-4-6-8-16)21(26)23-13-15-9-10-17(27-2)11-19(15)28-3/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeyANVSYZMNJULEIN-UHFFFAOYSA-N
XLogP4.34
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2355904
N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 71897013
N-[(2-fluorophenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 9107251
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 87043423
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27744208
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 43003471
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 78781187
N-(3-butoxypropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27682809

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 55577361) is N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is COc1ccc(CNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is ANVSYZMNJULEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-14-18-12-20(29-22(18)25(24-14)16-7-5-4-6-8-16)21(26)23-13-15-9-10-17(27-2)11-19(15)28-3/h4-12H,13H2,1-3H3,(H,23,26).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 55577361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).