3-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide

C21H18N4O2S — CID 91625814

IUPAC3-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2cccnc2-c2cccs2)[nH]n1
InChIInChI=1S/C21H18N4O2S/c1-27-18-8-3-2-7-15(18)16-12-17(25-24-16)21(26)23-13-14-6-4-10-22-20(14)19-9-5-11-28-19/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyFGEWVGFRTVBPSG-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.14
Rot. Bonds6

About 3-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide

3-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 91625814) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID91625814
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name3-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2cccnc2-c2cccs2)[nH]n1
InChIInChI=1S/C21H18N4O2S/c1-27-18-8-3-2-7-15(18)16-12-17(25-24-16)21(26)23-13-14-6-4-10-22-20(14)19-9-5-11-28-19/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyFGEWVGFRTVBPSG-UHFFFAOYSA-N
XLogP4.14
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide (CID 91625814) is 3-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)NCc2cccnc2-c2cccs2)[nH]n1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FGEWVGFRTVBPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-27-18-8-3-2-7-15(18)16-12-17(25-24-16)21(26)23-13-14-6-4-10-22-20(14)19-9-5-11-28-19/h2-12H,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
3-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91625814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).