4-(1-ethylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one

C15H18N6O — CID 138597012

IUPAC4-(1-ethylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCn1cc(-c2nc(-n3ccnc3)[nH]c(=O)c2C(C)C)cn1
InChIInChI=1S/C15H18N6O/c1-4-21-8-11(7-17-21)13-12(10(2)3)14(22)19-15(18-13)20-6-5-16-9-20/h5-10H,4H2,1-3H3,(H,18,19,22)
InChIKeyYWLMVBRRUGONEI-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.96
Rot. Bonds4

About 4-(1-ethylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one

4-(1-ethylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 138597012) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID138597012
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name4-(1-ethylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCn1cc(-c2nc(-n3ccnc3)[nH]c(=O)c2C(C)C)cn1
InChIInChI=1S/C15H18N6O/c1-4-21-8-11(7-17-21)13-12(10(2)3)14(22)19-15(18-13)20-6-5-16-9-20/h5-10H,4H2,1-3H3,(H,18,19,22)
InChIKeyYWLMVBRRUGONEI-UHFFFAOYSA-N
XLogP1.96
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]acetamide
CID 138597025
N-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide
CID 138597059
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide
CID 138597151
6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]-7-(trifluoromethyl)-8H-imidazo[1,2-a]pyrimidin-5-one
CID 175759372
7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5(6H)-one
CID 67451939
N-[1-[(4,6-dimethyl-2,3-dihydropyridin-5-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide
CID 118303075
2-(2-methylimidazol-1-yl)-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 137278901
2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetic acid
CID 137278919
2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 137278922
2-imidazol-1-yl-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 137278928
2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide
CID 137278938
4-(1-cyclobutylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one
CID 138596941

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one (CID 138597012) is 4-(1-ethylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one is CCn1cc(-c2nc(-n3ccnc3)[nH]c(=O)c2C(C)C)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is YWLMVBRRUGONEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-4-21-8-11(7-17-21)13-12(10(2)3)14(22)19-15(18-13)20-6-5-16-9-20/h5-10H,4H2,1-3H3,(H,18,19,22).
What are the key properties of 4-(1-ethylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one?
4-(1-ethylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 298.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-2-imidazol-1-yl-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 138597012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).