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

C12H11N5O — CID 117354732

IUPAC3-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-1H-imidazol-2-one
SMILESNc1[nH]ncc1-c1cccc(-n2cc[nH]c2=O)c1
InChIInChI=1S/C12H11N5O/c13-11-10(7-15-16-11)8-2-1-3-9(6-8)17-5-4-14-12(17)18/h1-7H,(H,14,18)(H3,13,15,16)
InChIKeyLYGVXDPWOWGOIV-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.14
Rot. Bonds2

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

3-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-1H-imidazol-2-one (PubChem CID 117354732) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-1H-imidazol-2-one
PubChem CID117354732
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name3-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-1H-imidazol-2-one
SMILESNc1[nH]ncc1-c1cccc(-n2cc[nH]c2=O)c1
InChIInChI=1S/C12H11N5O/c13-11-10(7-15-16-11)8-2-1-3-9(6-8)17-5-4-14-12(17)18/h1-7H,(H,14,18)(H3,13,15,16)
InChIKeyLYGVXDPWOWGOIV-UHFFFAOYSA-N
XLogP1.14
TPSA92.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68700957
4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
CID 68941490
5-[3-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117430548
4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68943222
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-1H-imidazol-2-one
CID 117330730
3-[3-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one
CID 84783968
4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine
CID 117354767
N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
CID 117419923
4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine
CID 117293410
3-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-4-methyl-1H-imidazol-2-one
CID 117390963
4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine
CID 117331143
3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one
CID 130486985

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-1H-imidazol-2-one (CID 117354732) is 3-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-1H-imidazol-2-one is Nc1[nH]ncc1-c1cccc(-n2cc[nH]c2=O)c1.
What is the InChIKey of 3-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-1H-imidazol-2-one?
The InChIKey is LYGVXDPWOWGOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-11-10(7-15-16-11)8-2-1-3-9(6-8)17-5-4-14-12(17)18/h1-7H,(H,14,18)(H3,13,15,16).
What are the key properties of 3-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-1H-imidazol-2-one?
3-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-1H-imidazol-2-one has a molecular weight of 241.25 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 117354732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).