2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one

C17H17N5OS — CID 136555910

IUPAC2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESCc1csc(-c2cnc(C=Cc3ccnn3CC3CC3)[nH]c2=O)n1
InChIInChI=1S/C17H17N5OS/c1-11-10-24-17(20-11)14-8-18-15(21-16(14)23)5-4-13-6-7-19-22(13)9-12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,18,21,23)
InChIKeyUKZWKKPAHVFCGG-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.98
Rot. Bonds5

About 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one

2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one (PubChem CID 136555910) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
PubChem CID136555910
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESCc1csc(-c2cnc(C=Cc3ccnn3CC3CC3)[nH]c2=O)n1
InChIInChI=1S/C17H17N5OS/c1-11-10-24-17(20-11)14-8-18-15(21-16(14)23)5-4-13-6-7-19-22(13)9-12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,18,21,23)
InChIKeyUKZWKKPAHVFCGG-UHFFFAOYSA-N
XLogP2.98
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one (CID 136555910) is 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one is Cc1csc(-c2cnc(C=Cc3ccnn3CC3CC3)[nH]c2=O)n1.
What is the InChIKey of 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is UKZWKKPAHVFCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-11-10-24-17(20-11)14-8-18-15(21-16(14)23)5-4-13-6-7-19-22(13)9-12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,18,21,23).
What are the key properties of 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 339.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136555910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).