3-(2-hydroxyphenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide

C18H14N6O2S — CID 137177418

IUPAC3-(2-hydroxyphenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1csc(-c2cnccn2)n1)c1cc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C18H14N6O2S/c25-16-4-2-1-3-12(16)13-7-14(24-23-13)17(26)21-8-11-10-27-18(22-11)15-9-19-5-6-20-15/h1-7,9-10,25H,8H2,(H,21,26)(H,23,24)
InChIKeyUGVOOUONHFEBQT-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.63
Rot. Bonds5

About 3-(2-hydroxyphenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide

3-(2-hydroxyphenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 137177418) has the molecular formula C18H14N6O2S and a molecular weight of 378.42 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID137177418
Molecular FormulaC18H14N6O2S
Molecular Weight378.42 g/mol
Exact Mass378.09
IUPAC Name3-(2-hydroxyphenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1csc(-c2cnccn2)n1)c1cc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C18H14N6O2S/c25-16-4-2-1-3-12(16)13-7-14(24-23-13)17(26)21-8-11-10-27-18(22-11)15-9-19-5-6-20-15/h1-7,9-10,25H,8H2,(H,21,26)(H,23,24)
InChIKeyUGVOOUONHFEBQT-UHFFFAOYSA-N
XLogP2.63
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (CID 137177418) is 3-(2-hydroxyphenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is O=C(NCc1csc(-c2cnccn2)n1)c1cc(-c2ccccc2O)n[nH]1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UGVOOUONHFEBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2S/c25-16-4-2-1-3-12(16)13-7-14(24-23-13)17(26)21-8-11-10-27-18(22-11)15-9-19-5-6-20-15/h1-7,9-10,25H,8H2,(H,21,26)(H,23,24).
What are the key properties of 3-(2-hydroxyphenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
3-(2-hydroxyphenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 378.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 137177418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).