2-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one

C8H8N4O — CID 137296964

IUPAC2-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCc1nc(-c2cn[nH]c2)cc(=O)[nH]1
InChIInChI=1S/C8H8N4O/c1-5-11-7(2-8(13)12-5)6-3-9-10-4-6/h2-4H,1H3,(H,9,10)(H,11,12,13)
InChIKeyBBTOKUMUMBDXOY-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.47
Rot. Bonds1

About 2-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one

2-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 137296964) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID137296964
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name2-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCc1nc(-c2cn[nH]c2)cc(=O)[nH]1
InChIInChI=1S/C8H8N4O/c1-5-11-7(2-8(13)12-5)6-3-9-10-4-6/h2-4H,1H3,(H,9,10)(H,11,12,13)
InChIKeyBBTOKUMUMBDXOY-UHFFFAOYSA-N
XLogP0.47
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,7-Dihydro-6-(1-methylethyl)-7-oxo-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90419541
4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 175933866
6-ethyl-7-oxo-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454690
4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
CID 137278930
7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 137373844
7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 137374023
4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
CID 166701141
5-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
CID 170571459
5-chloro-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
CID 170571467
2-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172359571
4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one;hydrochloride
CID 175933857
6-(1H-pyrazol-4-yl)-1H-pyridin-2-one
CID 175983948

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one (CID 137296964) is 2-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one is Cc1nc(-c2cn[nH]c2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is BBTOKUMUMBDXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-5-11-7(2-8(13)12-5)6-3-9-10-4-6/h2-4H,1H3,(H,9,10)(H,11,12,13).
What are the key properties of 2-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
2-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 176.18 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137296964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).