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

C13H13N5O — CID 117390963

IUPAC3-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-4-methyl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1-c1ccc(-c2cn[nH]c2N)cc1
InChIInChI=1S/C13H13N5O/c1-8-6-15-13(19)18(8)10-4-2-9(3-5-10)11-7-16-17-12(11)14/h2-7H,1H3,(H,15,19)(H3,14,16,17)
InChIKeyPSYGNKIEBKIRBA-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.45
Rot. Bonds2

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

3-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-4-methyl-1H-imidazol-2-one (PubChem CID 117390963) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-4-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-4-methyl-1H-imidazol-2-one
PubChem CID117390963
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name3-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-4-methyl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1-c1ccc(-c2cn[nH]c2N)cc1
InChIInChI=1S/C13H13N5O/c1-8-6-15-13(19)18(8)10-4-2-9(3-5-10)11-7-16-17-12(11)14/h2-7H,1H3,(H,15,19)(H3,14,16,17)
InChIKeyPSYGNKIEBKIRBA-UHFFFAOYSA-N
XLogP1.45
TPSA92.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-4-methyl-1H-imidazol-2-one?
The IUPAC name of 3-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-4-methyl-1H-imidazol-2-one (CID 117390963) is 3-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-4-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-4-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-4-methyl-1H-imidazol-2-one is Cc1c[nH]c(=O)n1-c1ccc(-c2cn[nH]c2N)cc1.
What is the InChIKey of 3-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-4-methyl-1H-imidazol-2-one?
The InChIKey is PSYGNKIEBKIRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-6-15-13(19)18(8)10-4-2-9(3-5-10)11-7-16-17-12(11)14/h2-7H,1H3,(H,15,19)(H3,14,16,17).
What are the key properties of 3-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-4-methyl-1H-imidazol-2-one?
3-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-4-methyl-1H-imidazol-2-one has a molecular weight of 255.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-4-methyl-1H-imidazol-2-one is sourced from PubChem (CID 117390963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).