3-(2-fluorophenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide

C18H13FN4OS — CID 20857618

IUPAC3-(2-fluorophenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2F)c2cc(C(=O)Nc3cccnc3)sc21
InChIInChI=1S/C18H13FN4OS/c1-23-18-13(16(22-23)12-6-2-3-7-14(12)19)9-15(25-18)17(24)21-11-5-4-8-20-10-11/h2-10H,1H3,(H,21,24)
InChIKeyNYJIFWQDIWVYNL-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.09
Rot. Bonds3

About 3-(2-fluorophenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide

3-(2-fluorophenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 20857618) has the molecular formula C18H13FN4OS and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID20857618
Molecular FormulaC18H13FN4OS
Molecular Weight352.39 g/mol
Exact Mass352.08
IUPAC Name3-(2-fluorophenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2F)c2cc(C(=O)Nc3cccnc3)sc21
InChIInChI=1S/C18H13FN4OS/c1-23-18-13(16(22-23)12-6-2-3-7-14(12)19)9-15(25-18)17(24)21-11-5-4-8-20-10-11/h2-10H,1H3,(H,21,24)
InChIKeyNYJIFWQDIWVYNL-UHFFFAOYSA-N
XLogP4.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-(pyridin-3-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 2999058
CB2 Inhibitor, 2
CID 16376054
3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyrazole-5-carboxamide
CID 663824
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
N-hydroxy-5-(1-(2-oxo-2-(quinolin-8-ylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 9977875
1-cyclohexyl-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 44610732
N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46175179
1-methyl-3-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 46230614
3-(2-fluorophenyl)-1-methyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 46231793
1-ethyl-3-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 46231856
N-[1-(4-acetylpiperazin-1-yl)propan-2-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46231930
N-[1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 46231932

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide (CID 20857618) is 3-(2-fluorophenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide is Cn1nc(-c2ccccc2F)c2cc(C(=O)Nc3cccnc3)sc21.
What is the InChIKey of 3-(2-fluorophenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is NYJIFWQDIWVYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS/c1-23-18-13(16(22-23)12-6-2-3-7-14(12)19)9-15(25-18)17(24)21-11-5-4-8-20-10-11/h2-10H,1H3,(H,21,24).
What are the key properties of 3-(2-fluorophenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
3-(2-fluorophenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 20857618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).