N-(2-cyanophenyl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

C20H13FN4OS — CID 46257706

IUPACN-(2-cyanophenyl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2F)c2cc(C(=O)Nc3ccccc3C#N)sc21
InChIInChI=1S/C20H13FN4OS/c1-25-20-14(18(24-25)13-7-3-4-8-15(13)21)10-17(27-20)19(26)23-16-9-5-2-6-12(16)11-22/h2-10H,1H3,(H,23,26)
InChIKeyPSOLOPDOKVPNMN-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.56
Rot. Bonds3

About N-(2-cyanophenyl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

N-(2-cyanophenyl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 46257706) has the molecular formula C20H13FN4OS and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID46257706
Molecular FormulaC20H13FN4OS
Molecular Weight376.42 g/mol
Exact Mass376.08
IUPAC NameN-(2-cyanophenyl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2F)c2cc(C(=O)Nc3ccccc3C#N)sc21
InChIInChI=1S/C20H13FN4OS/c1-25-20-14(18(24-25)13-7-3-4-8-15(13)21)10-17(27-20)19(26)23-16-9-5-2-6-12(16)11-22/h2-10H,1H3,(H,23,26)
InChIKeyPSOLOPDOKVPNMN-UHFFFAOYSA-N
XLogP4.56
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluorophenyl)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 20857586
3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20857544
3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 53020534
N-(2-ethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304599
N,1-dimethyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1484439
N-(4-bromo-2-fluorophenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 26014198
N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110864602
N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 38872398
N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide
CID 110692262
N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 71907690
N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110676242
1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51304612

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 46257706) is N-(2-cyanophenyl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is Cn1nc(-c2ccccc2F)c2cc(C(=O)Nc3ccccc3C#N)sc21.
What is the InChIKey of N-(2-cyanophenyl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is PSOLOPDOKVPNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4OS/c1-25-20-14(18(24-25)13-7-3-4-8-15(13)21)10-17(27-20)19(26)23-16-9-5-2-6-12(16)11-22/h2-10H,1H3,(H,23,26).
What are the key properties of N-(2-cyanophenyl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-(2-cyanophenyl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 46257706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).