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

C24H25N3O3S — CID 2012927

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3c(C)nn(-c4ccc(C)cc4)c3s2)cc1OC
InChIInChI=1S/C24H25N3O3S/c1-15-5-8-18(9-6-15)27-24-19(16(2)26-27)14-22(31-24)23(28)25-12-11-17-7-10-20(29-3)21(13-17)30-4/h5-10,13-14H,11-12H2,1-4H3,(H,25,28)
InChIKeyULZLHXDIRZJLLY-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.69
Rot. Bonds7

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 2012927) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID2012927
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3c(C)nn(-c4ccc(C)cc4)c3s2)cc1OC
InChIInChI=1S/C24H25N3O3S/c1-15-5-8-18(9-6-15)27-24-19(16(2)26-27)14-22(31-24)23(28)25-12-11-17-7-10-20(29-3)21(13-17)30-4/h5-10,13-14H,11-12H2,1-4H3,(H,25,28)
InChIKeyULZLHXDIRZJLLY-UHFFFAOYSA-N
XLogP4.69
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51305037
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
1-(4-fluorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 46636549
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 78794561
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
methyl 2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]acetate
CID 27682291
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994021
1-(4-fluorophenyl)-3-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 33426862
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55577361
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 78781187

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 2012927) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide is COc1ccc(CCNC(=O)c2cc3c(C)nn(-c4ccc(C)cc4)c3s2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is ULZLHXDIRZJLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-15-5-8-18(9-6-15)27-24-19(16(2)26-27)14-22(31-24)23(28)25-12-11-17-7-10-20(29-3)21(13-17)30-4/h5-10,13-14H,11-12H2,1-4H3,(H,25,28).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 2012927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).