3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one

C16H12N4OS — CID 42092857

IUPAC3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2ccsc2ncn1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H12N4OS/c21-16-14-6-9-22-15(14)17-11-19(16)10-12-2-4-13(5-3-12)20-8-1-7-18-20/h1-9,11H,10H2
InChIKeyPMZAQONNFKFMCH-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.69
Rot. Bonds3

About 3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one

3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 42092857) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID42092857
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2ccsc2ncn1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H12N4OS/c21-16-14-6-9-22-15(14)17-11-19(16)10-12-2-4-13(5-3-12)20-8-1-7-18-20/h1-9,11H,10H2
InChIKeyPMZAQONNFKFMCH-UHFFFAOYSA-N
XLogP2.69
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 18195406
3-[[6-(ethylamino)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 62207128
3-[(3-amino-5-bromophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 103350053
3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzohydrazide
CID 63577338
5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
CID 55184366
3-[(4-amino-3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 62207639
3-[(4-bromo-3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 115557852
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 51314616
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 35859833
3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
CID 63641232
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 38866791
3-[(2-amino-4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 55036937

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one (CID 42092857) is 3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one is O=c1c2ccsc2ncn1Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of 3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is PMZAQONNFKFMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c21-16-14-6-9-22-15(14)17-11-19(16)10-12-2-4-13(5-3-12)20-8-1-7-18-20/h1-9,11H,10H2.
What are the key properties of 3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 308.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 42092857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).