3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one

C14H15N5O — CID 117426420

IUPAC3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one
SMILESCc1cn(C)c(=O)n1-c1ccc(-c2cc(N)n[nH]2)cc1
InChIInChI=1S/C14H15N5O/c1-9-8-18(2)14(20)19(9)11-5-3-10(4-6-11)12-7-13(15)17-16-12/h3-8H,1-2H3,(H3,15,16,17)
InChIKeyKHFDOZUNGHPXNS-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.46
Rot. Bonds2

About 3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one

3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one (PubChem CID 117426420) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one.

Molecular Properties

Compound Name3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one
PubChem CID117426420
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one
SMILESCc1cn(C)c(=O)n1-c1ccc(-c2cc(N)n[nH]2)cc1
InChIInChI=1S/C14H15N5O/c1-9-8-18(2)14(20)19(9)11-5-3-10(4-6-11)12-7-13(15)17-16-12/h3-8H,1-2H3,(H3,15,16,17)
InChIKeyKHFDOZUNGHPXNS-UHFFFAOYSA-N
XLogP1.46
TPSA81.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methyl-1H-imidazol-2-one
CID 117390947
1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one
CID 117431151
3-[4-(1-aminopropan-2-yl)phenyl]-1,4-dimethylimidazol-2-one
CID 117365701
6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one
CID 117330218
5-(1,3-dimethylindazol-6-yl)-1H-pyrazol-3-amine
CID 117327047
5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine
CID 117309554
5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine
CID 163569629
5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine
CID 115111556
3-[4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-1,4-dimethylimidazol-2-one
CID 117407626
5-(3-bromo-4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3614347
5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 92669016
5-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117494004

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one?
The IUPAC name of 3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one (CID 117426420) is 3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one.
What is the SMILES notation for 3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one?
The canonical SMILES for 3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one is Cc1cn(C)c(=O)n1-c1ccc(-c2cc(N)n[nH]2)cc1.
What is the InChIKey of 3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one?
The InChIKey is KHFDOZUNGHPXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-8-18(2)14(20)19(9)11-5-3-10(4-6-11)12-7-13(15)17-16-12/h3-8H,1-2H3,(H3,15,16,17).
What are the key properties of 3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one?
3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one has a molecular weight of 269.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one is sourced from PubChem (CID 117426420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).