1-(2-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazole-4-carboxamide

C18H20N4O2S — CID 70706014

IUPAC1-(2-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)NCCCc2scnc2C)cn1
InChIInChI=1S/C18H20N4O2S/c1-13-17(25-12-20-13)8-5-9-19-18(23)14-10-21-22(11-14)15-6-3-4-7-16(15)24-2/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,19,23)
InChIKeyTZMJUHVUOUQVKY-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.01
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazole-4-carboxamide

1-(2-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazole-4-carboxamide (PubChem CID 70706014) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazole-4-carboxamide
PubChem CID70706014
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name1-(2-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)NCCCc2scnc2C)cn1
InChIInChI=1S/C18H20N4O2S/c1-13-17(25-12-20-13)8-5-9-19-18(23)14-10-21-22(11-14)15-6-3-4-7-16(15)24-2/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,19,23)
InChIKeyTZMJUHVUOUQVKY-UHFFFAOYSA-N
XLogP3.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazole-4-carboxamide (CID 70706014) is 1-(2-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazole-4-carboxamide is COc1ccccc1-n1cc(C(=O)NCCCc2scnc2C)cn1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazole-4-carboxamide?
The InChIKey is TZMJUHVUOUQVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-13-17(25-12-20-13)8-5-9-19-18(23)14-10-21-22(11-14)15-6-3-4-7-16(15)24-2/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,19,23).
What are the key properties of 1-(2-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazole-4-carboxamide?
1-(2-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazole-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 70706014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).