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

C17H18N4O2S — CID 50954296

IUPAC1-(2-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)N(C)Cc2csc(C)n2)cn1
InChIInChI=1S/C17H18N4O2S/c1-12-19-14(11-24-12)10-20(2)17(22)13-8-18-21(9-13)15-6-4-5-7-16(15)23-3/h4-9,11H,10H2,1-3H3
InChIKeyIEIOQQAOYUTRRI-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.92
Rot. Bonds5

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

1-(2-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 50954296) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID50954296
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-(2-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)N(C)Cc2csc(C)n2)cn1
InChIInChI=1S/C17H18N4O2S/c1-12-19-14(11-24-12)10-20(2)17(22)13-8-18-21(9-13)15-6-4-5-7-16(15)23-3/h4-9,11H,10H2,1-3H3
InChIKeyIEIOQQAOYUTRRI-UHFFFAOYSA-N
XLogP2.92
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide (CID 50954296) is 1-(2-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide is COc1ccccc1-n1cc(C(=O)N(C)Cc2csc(C)n2)cn1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is IEIOQQAOYUTRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-19-14(11-24-12)10-20(2)17(22)13-8-18-21(9-13)15-6-4-5-7-16(15)23-3/h4-9,11H,10H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
1-(2-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 50954296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).