1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one

C14H17N5O — CID 117431163

IUPAC1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cccc(-c3cc(N)n(C)n3)c2)C1=O
InChIInChI=1S/C14H17N5O/c1-17-6-7-19(14(17)20)11-5-3-4-10(8-11)12-9-13(15)18(2)16-12/h3-5,8-9H,6-7,15H2,1-2H3
InChIKeyGVKHSDATABMXBD-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.54
Rot. Bonds2

About 1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one

1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one (PubChem CID 117431163) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one
PubChem CID117431163
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cccc(-c3cc(N)n(C)n3)c2)C1=O
InChIInChI=1S/C14H17N5O/c1-17-6-7-19(14(17)20)11-5-3-4-10(8-11)12-9-13(15)18(2)16-12/h3-5,8-9H,6-7,15H2,1-2H3
InChIKeyGVKHSDATABMXBD-UHFFFAOYSA-N
XLogP1.54
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-imidazol-1-ylphenyl)-1-methylpyrazol-5-amine
CID 117350770
1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine
CID 117386048
1-(3-bromo-4-methylphenyl)-3-methylimidazolidin-2-one
CID 117026496
3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117293427
3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid
CID 117412461
3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine
CID 117327429
6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one
CID 117357788
1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one
CID 126760369
1-[4-(5-amino-1-methylpyrazol-3-yl)phenyl]-2-methylpyrazolidin-3-one
CID 117431160
3-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 1471110
3-[3-(4-tert-butylcyclohexyl)phenyl]-1-methylpyrazol-5-amine
CID 117496362
1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine
CID 43542770

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one (CID 117431163) is 1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one is CN1CCN(c2cccc(-c3cc(N)n(C)n3)c2)C1=O.
What is the InChIKey of 1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one?
The InChIKey is GVKHSDATABMXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-17-6-7-19(14(17)20)11-5-3-4-10(8-11)12-9-13(15)18(2)16-12/h3-5,8-9H,6-7,15H2,1-2H3.
What are the key properties of 1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one?
1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 117431163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).