3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide

C19H17N5O3S — CID 91819120

IUPAC3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCn2cnc3sccc3c2=O)[nH]n1
InChIInChI=1S/C19H17N5O3S/c1-27-16-5-3-2-4-12(16)14-10-15(23-22-14)17(25)20-7-8-24-11-21-18-13(19(24)26)6-9-28-18/h2-6,9-11H,7-8H2,1H3,(H,20,25)(H,22,23)
InChIKeyFIRILHGQPZESLL-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.29
Rot. Bonds6

About 3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide

3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 91819120) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID91819120
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCn2cnc3sccc3c2=O)[nH]n1
InChIInChI=1S/C19H17N5O3S/c1-27-16-5-3-2-4-12(16)14-10-15(23-22-14)17(25)20-7-8-24-11-21-18-13(19(24)26)6-9-28-18/h2-6,9-11H,7-8H2,1H3,(H,20,25)(H,22,23)
InChIKeyFIRILHGQPZESLL-UHFFFAOYSA-N
XLogP2.29
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121119799
3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121034572
5-tert-butyl-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 91632855
3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide
CID 90490047
N-[(2-methoxyphenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 27687387
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55500177
3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide
CID 75489933
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 30888512
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
N-[2-(4-methoxyphenyl)ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 47017281
N-[4-(2-fluorophenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 91819120) is 3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)NCCn2cnc3sccc3c2=O)[nH]n1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FIRILHGQPZESLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-27-16-5-3-2-4-12(16)14-10-15(23-22-14)17(25)20-7-8-24-11-21-18-13(19(24)26)6-9-28-18/h2-6,9-11H,7-8H2,1H3,(H,20,25)(H,22,23).
What are the key properties of 3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91819120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).