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

C12H11N5O — CID 117354737

IUPAC4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one
SMILESNc1cc(-c2ccccc2-c2c[nH]c(=O)[nH]2)[nH]n1
InChIInChI=1S/C12H11N5O/c13-11-5-9(16-17-11)7-3-1-2-4-8(7)10-6-14-12(18)15-10/h1-6H,(H3,13,16,17)(H2,14,15,18)
InChIKeyGTNFLUXQPRLVJM-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.34
Rot. Bonds2

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

4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one (PubChem CID 117354737) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one
PubChem CID117354737
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one
SMILESNc1cc(-c2ccccc2-c2c[nH]c(=O)[nH]2)[nH]n1
InChIInChI=1S/C12H11N5O/c13-11-5-9(16-17-11)7-3-1-2-4-8(7)10-6-14-12(18)15-10/h1-6H,(H3,13,16,17)(H2,14,15,18)
InChIKeyGTNFLUXQPRLVJM-UHFFFAOYSA-N
XLogP1.34
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphthalen-1-yl-1,3-dihydroimidazol-2-one
CID 116879771
5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-amine
CID 117337228
4-[2-(2-amino-2-methylpropyl)phenyl]-1,3-dihydroimidazol-2-one
CID 117334646
5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117472107
5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine
CID 88558873
5-[2-(triazol-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117325181
5-[2-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazol-3-amine
CID 117447698
1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea
CID 117334161
4-(3-amino-1H-pyrazol-5-yl)-1,3-dihydroindol-2-one
CID 117305337
3-(3-amino-1H-pyrazol-5-yl)-1H-indol-7-ol
CID 136985847
4-[2-(3-hydroxypropyl)phenyl]-1,3-dihydroimidazol-2-one
CID 117310867
5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
CID 81265191

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one (CID 117354737) is 4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one is Nc1cc(-c2ccccc2-c2c[nH]c(=O)[nH]2)[nH]n1.
What is the InChIKey of 4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one?
The InChIKey is GTNFLUXQPRLVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-11-5-9(16-17-11)7-3-1-2-4-8(7)10-6-14-12(18)15-10/h1-6H,(H3,13,16,17)(H2,14,15,18).
What are the key properties of 4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one?
4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one has a molecular weight of 241.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 117354737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).