4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one

C11H14N4O — CID 137278930

IUPAC4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCc1nc(-c2cn[nH]c2)[nH]c(=O)c1C(C)C
InChIInChI=1S/C11H14N4O/c1-6(2)9-7(3)14-10(15-11(9)16)8-4-12-13-5-8/h4-6H,1-3H3,(H,12,13)(H,14,15,16)
InChIKeyVSFWMQZMWQPLRB-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.59
Rot. Bonds2

About 4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one

4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 137278930) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID137278930
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCc1nc(-c2cn[nH]c2)[nH]c(=O)c1C(C)C
InChIInChI=1S/C11H14N4O/c1-6(2)9-7(3)14-10(15-11(9)16)8-4-12-13-5-8/h4-6H,1-3H3,(H,12,13)(H,14,15,16)
InChIKeyVSFWMQZMWQPLRB-UHFFFAOYSA-N
XLogP1.59
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,7-Dihydro-6-(1-methylethyl)-7-oxo-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90419541
6-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943662
5-fluoro-6-methyl-2-(1H-pyrazol-4-yl)-3,4-dihydropyrimidin-4-one
CID 137272470
6-ethyl-7-oxo-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454690
6-isopropyl-5-methyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 117925623
6-cyclopropyl-5-methyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 117925801
6-ethyl-5-methyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 117925975
2-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
CID 137296964
4-ethyl-1,6-dimethyl-2-(1H-pyrazol-4-yl)-4H-pyrimidine-5-carboxamide
CID 166794212
5-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
CID 170571459
5-(aminomethyl)-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
CID 133665685
2-methylsulfanyl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943658

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one (CID 137278930) is 4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one is Cc1nc(-c2cn[nH]c2)[nH]c(=O)c1C(C)C.
What is the InChIKey of 4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is VSFWMQZMWQPLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-6(2)9-7(3)14-10(15-11(9)16)8-4-12-13-5-8/h4-6H,1-3H3,(H,12,13)(H,14,15,16).
What are the key properties of 4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 218.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137278930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).