1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one

C17H17N5O — CID 146040356

IUPAC1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one
SMILESCN1CCC(n2ccnc2-c2cccc(-n3cccn3)c2)C1=O
InChIInChI=1S/C17H17N5O/c1-20-10-6-15(17(20)23)21-11-8-18-16(21)13-4-2-5-14(12-13)22-9-3-7-19-22/h2-5,7-9,11-12,15H,6,10H2,1H3
InChIKeyDVOZTORQALGDOF-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.14
Rot. Bonds3

About 1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one

1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one (PubChem CID 146040356) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one
PubChem CID146040356
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one
SMILESCN1CCC(n2ccnc2-c2cccc(-n3cccn3)c2)C1=O
InChIInChI=1S/C17H17N5O/c1-20-10-6-15(17(20)23)21-11-8-18-16(21)13-4-2-5-14(12-13)22-9-3-7-19-22/h2-5,7-9,11-12,15H,6,10H2,1H3
InChIKeyDVOZTORQALGDOF-UHFFFAOYSA-N
XLogP2.14
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one
CID 155914149
[4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol
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3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 165422015
1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
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N,N-dimethyl-1-[(3R,4S)-4-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide;formic acid
CID 171330235
3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 154563903
3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
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(3S,6S)-1,3,6-trimethyl-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine-2,5-dione
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2-(1-bicyclo[2.2.2]octanyl)-4-(3-pyrazol-1-ylphenyl)-1,3,5-triazine
CID 140595848
3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 167783974
3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole
CID 56708461
3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one (CID 146040356) is 1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one is CN1CCC(n2ccnc2-c2cccc(-n3cccn3)c2)C1=O.
What is the InChIKey of 1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one?
The InChIKey is DVOZTORQALGDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-20-10-6-15(17(20)23)21-11-8-18-16(21)13-4-2-5-14(12-13)22-9-3-7-19-22/h2-5,7-9,11-12,15H,6,10H2,1H3.
What are the key properties of 1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one?
1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one has a molecular weight of 307.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 146040356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).