2-(5-amino-3-methylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one

C14H13N5O — CID 135876314

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one
SMILESCc1cc(N)n(-c2nc(-c3ccccc3)cc(=O)[nH]2)n1
InChIInChI=1S/C14H13N5O/c1-9-7-12(15)19(18-9)14-16-11(8-13(20)17-14)10-5-3-2-4-6-10/h2-8H,15H2,1H3,(H,16,17,20)
InChIKeyQRAWKBUXKXZHKQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.51
Rot. Bonds2

About 2-(5-amino-3-methylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one

2-(5-amino-3-methylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135876314) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one
PubChem CID135876314
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one
SMILESCc1cc(N)n(-c2nc(-c3ccccc3)cc(=O)[nH]2)n1
InChIInChI=1S/C14H13N5O/c1-9-7-12(15)19(18-9)14-16-11(8-13(20)17-14)10-5-3-2-4-6-10/h2-8H,15H2,1H3,(H,16,17,20)
InChIKeyQRAWKBUXKXZHKQ-UHFFFAOYSA-N
XLogP1.51
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide
CID 25138072
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
1,7-Dihydro-3,6-dimethyl-1-phenyl-4H-pyrazolo[3,4-b]pyridin-4-one
CID 135403969
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
2-chloro-N-(1,3-diphenyl-1H-pyrazol-5-yl)acetamide
CID 2369606
2-cyano-N-[3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]acetamide
CID 2440126
3-Methyl-5-phenyl-4,5,7-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3-trien-8-one
CID 135875704
3-Methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
CID 141335958

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one (CID 135876314) is 2-(5-amino-3-methylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one is Cc1cc(N)n(-c2nc(-c3ccccc3)cc(=O)[nH]2)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is QRAWKBUXKXZHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-7-12(15)19(18-9)14-16-11(8-13(20)17-14)10-5-3-2-4-6-10/h2-8H,15H2,1H3,(H,16,17,20).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one?
2-(5-amino-3-methylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 267.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135876314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).