N,1,3-trimethyl-N-naphthalen-2-ylthieno[3,2-d]pyrazole-5-carboxamide

C19H17N3OS — CID 51312757

IUPACN,1,3-trimethyl-N-naphthalen-2-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)N(C)c3ccc4ccccc4c3)cc12
InChIInChI=1S/C19H17N3OS/c1-12-16-11-17(24-19(16)22(3)20-12)18(23)21(2)15-9-8-13-6-4-5-7-14(13)10-15/h4-11H,1-3H3
InChIKeyIAWUUMNNXZHZLX-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.37
Rot. Bonds2

About N,1,3-trimethyl-N-naphthalen-2-ylthieno[3,2-d]pyrazole-5-carboxamide

N,1,3-trimethyl-N-naphthalen-2-ylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 51312757) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is N,1,3-trimethyl-N-naphthalen-2-ylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,1,3-trimethyl-N-naphthalen-2-ylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID51312757
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC NameN,1,3-trimethyl-N-naphthalen-2-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)N(C)c3ccc4ccccc4c3)cc12
InChIInChI=1S/C19H17N3OS/c1-12-16-11-17(24-19(16)22(3)20-12)18(23)21(2)15-9-8-13-6-4-5-7-14(13)10-15/h4-11H,1-3H3
InChIKeyIAWUUMNNXZHZLX-UHFFFAOYSA-N
XLogP4.37
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-N-naphthalen-2-ylthiophene-2-carboxamide
CID 51146862
N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51304910
N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708120
N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 61233617
N,3-dimethyl-N-naphthalen-2-yl-4-oxophthalazine-1-carboxamide
CID 18270358
N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 95277110
N-[(5-chlorothiophen-2-yl)methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51305145
N,5-dimethyl-N-naphthalen-2-yl-1-phenylpyrazole-3-carboxamide
CID 55757695
N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 71907690
N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51309233
N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878059

Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-naphthalen-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N,1,3-trimethyl-N-naphthalen-2-ylthieno[3,2-d]pyrazole-5-carboxamide (CID 51312757) is N,1,3-trimethyl-N-naphthalen-2-ylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N,1,3-trimethyl-N-naphthalen-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N,1,3-trimethyl-N-naphthalen-2-ylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)N(C)c3ccc4ccccc4c3)cc12.
What is the InChIKey of N,1,3-trimethyl-N-naphthalen-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is IAWUUMNNXZHZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-12-16-11-17(24-19(16)22(3)20-12)18(23)21(2)15-9-8-13-6-4-5-7-14(13)10-15/h4-11H,1-3H3.
What are the key properties of N,1,3-trimethyl-N-naphthalen-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
N,1,3-trimethyl-N-naphthalen-2-ylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-naphthalen-2-ylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 51312757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).