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

C18H20N4O2S — CID 134147678

IUPACN-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCC(C)Cc1nn(-c2nccs2)cc1C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C18H20N4O2S/c1-12(2)9-16-15(11-22(21-16)18-19-7-8-25-18)17(24)20-10-13-3-5-14(23)6-4-13/h3-8,11-12,23H,9-10H2,1-2H3,(H,20,24)
InChIKeyUTBSNYMKSTTWJO-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.16
Rot. Bonds6

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

N-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 134147678) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID134147678
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCC(C)Cc1nn(-c2nccs2)cc1C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C18H20N4O2S/c1-12(2)9-16-15(11-22(21-16)18-19-7-8-25-18)17(24)20-10-13-3-5-14(23)6-4-13/h3-8,11-12,23H,9-10H2,1-2H3,(H,20,24)
InChIKeyUTBSNYMKSTTWJO-UHFFFAOYSA-N
XLogP3.16
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 134147678) is N-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is CC(C)Cc1nn(-c2nccs2)cc1C(=O)NCc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is UTBSNYMKSTTWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12(2)9-16-15(11-22(21-16)18-19-7-8-25-18)17(24)20-10-13-3-5-14(23)6-4-13/h3-8,11-12,23H,9-10H2,1-2H3,(H,20,24).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
N-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 134147678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).