N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide

C17H19N3O2S — CID 51304910

IUPACN,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)N(C)CCOc3ccccc3)cc12
InChIInChI=1S/C17H19N3O2S/c1-12-14-11-15(23-17(14)20(3)18-12)16(21)19(2)9-10-22-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3
InChIKeyYXULXHLRMNEDIY-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.09
Rot. Bonds5

About N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide

N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 51304910) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID51304910
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)N(C)CCOc3ccccc3)cc12
InChIInChI=1S/C17H19N3O2S/c1-12-14-11-15(23-17(14)20(3)18-12)16(21)19(2)9-10-22-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3
InChIKeyYXULXHLRMNEDIY-UHFFFAOYSA-N
XLogP3.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51304942
N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878059
1-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 55369409
N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708120
N,1,3-trimethyl-N-naphthalen-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 51312757
N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 61233617
N-[(5-chlorothiophen-2-yl)methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51305145
2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-propylamino]acetic acid
CID 61008919
N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51309233
N-(3-amino-4-methylpentyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119658366
N,1,3-trimethyl-N-(2-phenoxyethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55522947

Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 51304910) is N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)N(C)CCOc3ccccc3)cc12.
What is the InChIKey of N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is YXULXHLRMNEDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-14-11-15(23-17(14)20(3)18-12)16(21)19(2)9-10-22-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3.
What are the key properties of N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide?
N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 51304910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).