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

C16H19N5O2S — CID 91632855

IUPAC5-tert-butyl-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NCCn2cnc3sccc3c2=O)n[nH]1
InChIInChI=1S/C16H19N5O2S/c1-16(2,3)12-8-11(19-20-12)13(22)17-5-6-21-9-18-14-10(15(21)23)4-7-24-14/h4,7-9H,5-6H2,1-3H3,(H,17,22)(H,19,20)
InChIKeyVQZGDSAECXOTLW-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.91
Rot. Bonds4

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

5-tert-butyl-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 91632855) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID91632855
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name5-tert-butyl-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NCCn2cnc3sccc3c2=O)n[nH]1
InChIInChI=1S/C16H19N5O2S/c1-16(2,3)12-8-11(19-20-12)13(22)17-5-6-21-9-18-14-10(15(21)23)4-7-24-14/h4,7-9H,5-6H2,1-3H3,(H,17,22)(H,19,20)
InChIKeyVQZGDSAECXOTLW-UHFFFAOYSA-N
XLogP1.91
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 91819120
3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 110896890
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735
N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 91819112
5-methyl-N-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]-1H-pyrazole-3-carboxamide
CID 47061394
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 121119294
N-(2-hydroxyethyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 110886024
N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 110002544
3-[2-(prop-2-enylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 62564362
3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 61386927
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
CID 55976071
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119448926

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 91632855) is 5-tert-butyl-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide is CC(C)(C)c1cc(C(=O)NCCn2cnc3sccc3c2=O)n[nH]1.
What is the InChIKey of 5-tert-butyl-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is VQZGDSAECXOTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-16(2,3)12-8-11(19-20-12)13(22)17-5-6-21-9-18-14-10(15(21)23)4-7-24-14/h4,7-9H,5-6H2,1-3H3,(H,17,22)(H,19,20).
What are the key properties of 5-tert-butyl-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-tert-butyl-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91632855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).