4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide

C18H20N4O2S — CID 122572195

IUPAC4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCOCc1n[nH]c(C)c1-c1ccc(C(=O)NCc2csc(C)n2)cc1
InChIInChI=1S/C18H20N4O2S/c1-11-17(16(9-24-3)22-21-11)13-4-6-14(7-5-13)18(23)19-8-15-10-25-12(2)20-15/h4-7,10H,8-9H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyWIZJRXZFRHYQQZ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.23
Rot. Bonds6

About 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide

4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 122572195) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID122572195
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCOCc1n[nH]c(C)c1-c1ccc(C(=O)NCc2csc(C)n2)cc1
InChIInChI=1S/C18H20N4O2S/c1-11-17(16(9-24-3)22-21-11)13-4-6-14(7-5-13)18(23)19-8-15-10-25-12(2)20-15/h4-7,10H,8-9H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyWIZJRXZFRHYQQZ-UHFFFAOYSA-N
XLogP3.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
CID 46889104
ethyl 5-(2,4-diphenyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
CID 46889105
ethyl 5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
CID 46889103
ethyl 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxylate
CID 162644427
3-(2,4-dimethylthiazol-5-yl)-N-(4-ethylbenzyl)-1H-pyrazole-5-carboxamide
CID 30848808
N-[3-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-5-methyl-1H-pyrazol-4-yl]-2-[3-(dimethylcarbamoyl)-2,6-difluorophenyl]-1,3-thiazole-4-carboxamide
CID 118269790
N-[3-[(2S,5R,6S,7S)-5-amino-6-fluoro-7-methyloxepan-2-yl]-5-methyl-1H-pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 118385140
N-[3-[(2S,5R,6R,7S)-5-amino-6-fluoro-7-methyloxepan-2-yl]-5-methyl-1H-pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 118385234
N-{[5-(Methoxymethyl)-1H-pyrazol-3-YL]methyl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 56744209
4-(2,4-Dimethyl-1,3-thiazol-5-YL)-N-{[5-(methoxymethyl)-1H-pyrazol-3-YL]methyl}benzamide
CID 119064318
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-[5-(methoxymethyl)-3-methyl-1H-pyrazol-4-yl]benzamide
CID 122563592
ethyl 5-[4-(morpholin-4-ylmethyl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxylate
CID 10178997

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (CID 122572195) is 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is COCc1n[nH]c(C)c1-c1ccc(C(=O)NCc2csc(C)n2)cc1.
What is the InChIKey of 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is WIZJRXZFRHYQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11-17(16(9-24-3)22-21-11)13-4-6-14(7-5-13)18(23)19-8-15-10-25-12(2)20-15/h4-7,10H,8-9H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 356.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 122572195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).