methyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate

C18H17N3O4S — CID 19508801

IUPACmethyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1
InChIInChI=1S/C18H17N3O4S/c1-10-8-13(18(23)25-3)17(26-10)19-16(22)15-9-14(20-21-15)11-4-6-12(24-2)7-5-11/h4-9H,1-3H3,(H,19,22)(H,20,21)
InChIKeyWSQLQLQNJDHSPY-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.49
Rot. Bonds5

About methyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate

methyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate (PubChem CID 19508801) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is methyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate
PubChem CID19508801
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Namemethyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1
InChIInChI=1S/C18H17N3O4S/c1-10-8-13(18(23)25-3)17(26-10)19-16(22)15-9-14(20-21-15)11-4-6-12(24-2)7-5-11/h4-9H,1-3H3,(H,19,22)(H,20,21)
InChIKeyWSQLQLQNJDHSPY-UHFFFAOYSA-N
XLogP3.49
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 46942696
3-(2-Ethoxyphenyl)-N'-(1-(2-thienyl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 9630783
3-(5-fluoro-2-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49795782
N-(2-methoxy-5-(trifluoromethyl)phenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
CID 45504077
N-(3,4-dimethoxyphenyl)-5-(4-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 46942752
3-(4-fluoro-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49790078
3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49791400
N-{2-[2-(4-Methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-3-methylthiophene-2-carboxamide
CID 91892678
N-{2-[2-(4-Methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}thiophene-3-carboxamide
CID 91892680
N-{2-[2-(4-Methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-2-(thiophen-3-YL)acetamide
CID 91892688
N-{2-[2-(4-Methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-2-(thiophen-2-YL)acetamide
CID 91892699
N'-(1-(4-Methoxyphenyl)ethylidene)3(5-ME-2-thienyl)-1H-pyrazole-5-carbohydrazide
CID 5912509

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate (CID 19508801) is methyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate is COC(=O)c1cc(C)sc1NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1.
What is the InChIKey of methyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate?
The InChIKey is WSQLQLQNJDHSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-10-8-13(18(23)25-3)17(26-10)19-16(22)15-9-14(20-21-15)11-4-6-12(24-2)7-5-11/h4-9H,1-3H3,(H,19,22)(H,20,21).
What are the key properties of methyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate?
methyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate has a molecular weight of 371.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 19508801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).