acetic acid;4-[2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazol-1-yl]-1-propylpyrrolidin-2-one

C23H29N5O3 — CID 155971822

IUPACacetic acid;4-[2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazol-1-yl]-1-propylpyrrolidin-2-one
SMILESCC(=O)O.CCCN1CC(n2ccnc2-c2cccc(-n3nc(C)cc3C)c2)CC1=O
InChIInChI=1S/C21H25N5O.C2H4O2/c1-4-9-24-14-19(13-20(24)27)25-10-8-22-21(25)17-6-5-7-18(12-17)26-16(3)11-15(2)23-26;1-2(3)4/h5-8,10-12,19H,4,9,13-14H2,1-3H3;1H3,(H,3,4)
InChIKeyDHOVNDSLGZKCKU-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.63
Rot. Bonds5

About acetic acid;4-[2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazol-1-yl]-1-propylpyrrolidin-2-one

acetic acid;4-[2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazol-1-yl]-1-propylpyrrolidin-2-one (PubChem CID 155971822) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is acetic acid;4-[2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazol-1-yl]-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Nameacetic acid;4-[2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazol-1-yl]-1-propylpyrrolidin-2-one
PubChem CID155971822
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Nameacetic acid;4-[2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazol-1-yl]-1-propylpyrrolidin-2-one
SMILESCC(=O)O.CCCN1CC(n2ccnc2-c2cccc(-n3nc(C)cc3C)c2)CC1=O
InChIInChI=1S/C21H25N5O.C2H4O2/c1-4-9-24-14-19(13-20(24)27)25-10-8-22-21(25)17-6-5-7-18(12-17)26-16(3)11-15(2)23-26;1-2(3)4/h5-8,10-12,19H,4,9,13-14H2,1-3H3;1H3,(H,3,4)
InChIKeyDHOVNDSLGZKCKU-UHFFFAOYSA-N
XLogP3.63
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid
CID 163333857
4-[2-(2-methylpyrimidin-4-yl)imidazol-1-yl]-1-propylpyrrolidin-2-one
CID 154563511
4-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-propylpyrrolidin-2-one
CID 146042252
(3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165423592
2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane
CID 144722920
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CID 82478484
1-(3-chlorophenyl)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one
CID 154568444
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(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 25288010
1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 121499311
ethyl 3-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50883494
3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171972788

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-[2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazol-1-yl]-1-propylpyrrolidin-2-one?
The IUPAC name of acetic acid;4-[2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazol-1-yl]-1-propylpyrrolidin-2-one (CID 155971822) is acetic acid;4-[2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazol-1-yl]-1-propylpyrrolidin-2-one.
What is the SMILES notation for acetic acid;4-[2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazol-1-yl]-1-propylpyrrolidin-2-one?
The canonical SMILES for acetic acid;4-[2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazol-1-yl]-1-propylpyrrolidin-2-one is CC(=O)O.CCCN1CC(n2ccnc2-c2cccc(-n3nc(C)cc3C)c2)CC1=O.
What is the InChIKey of acetic acid;4-[2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazol-1-yl]-1-propylpyrrolidin-2-one?
The InChIKey is DHOVNDSLGZKCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O.C2H4O2/c1-4-9-24-14-19(13-20(24)27)25-10-8-22-21(25)17-6-5-7-18(12-17)26-16(3)11-15(2)23-26;1-2(3)4/h5-8,10-12,19H,4,9,13-14H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;4-[2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazol-1-yl]-1-propylpyrrolidin-2-one?
acetic acid;4-[2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazol-1-yl]-1-propylpyrrolidin-2-one has a molecular weight of 423.52 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-[2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazol-1-yl]-1-propylpyrrolidin-2-one is sourced from PubChem (CID 155971822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).