5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole

C23H23N5O — CID 95217578

IUPAC5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole
SMILESCOc1ccc(-c2[nH]ncc2-c2c(-c3ccccc3)ncn2[C@H]2CCNC2)cc1
InChIInChI=1S/C23H23N5O/c1-29-19-9-7-17(8-10-19)21-20(14-26-27-21)23-22(16-5-3-2-4-6-16)25-15-28(23)18-11-12-24-13-18/h2-10,14-15,18,24H,11-13H2,1H3,(H,26,27)/t18-/m0/s1
InChIKeyMVQNBHHSBYZRQM-SFHVURJKSA-N
MW385.47 g/mol
LogP4.15
Rot. Bonds5

About 5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole

5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole (PubChem CID 95217578) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole.

Molecular Properties

Compound Name5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole
PubChem CID95217578
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole
SMILESCOc1ccc(-c2[nH]ncc2-c2c(-c3ccccc3)ncn2[C@H]2CCNC2)cc1
InChIInChI=1S/C23H23N5O/c1-29-19-9-7-17(8-10-19)21-20(14-26-27-21)23-22(16-5-3-2-4-6-16)25-15-28(23)18-11-12-24-13-18/h2-10,14-15,18,24H,11-13H2,1H3,(H,26,27)/t18-/m0/s1
InChIKeyMVQNBHHSBYZRQM-SFHVURJKSA-N
XLogP4.15
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-phenyl-4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyrazole
CID 50948117
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CID 95119449
2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine
CID 50982493
5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine
CID 162676290
6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
CID 23433733
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5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-[(3S)-oxolan-3-yl]-4-phenylimidazole
CID 95226732
4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine
CID 124565058
2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol
CID 166473874
3-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 82380463
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene
CID 3280573
(3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole?
The IUPAC name of 5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole (CID 95217578) is 5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole.
What is the SMILES notation for 5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole?
The canonical SMILES for 5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole is COc1ccc(-c2[nH]ncc2-c2c(-c3ccccc3)ncn2[C@H]2CCNC2)cc1.
What is the InChIKey of 5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole?
The InChIKey is MVQNBHHSBYZRQM-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23N5O/c1-29-19-9-7-17(8-10-19)21-20(14-26-27-21)23-22(16-5-3-2-4-6-16)25-15-28(23)18-11-12-24-13-18/h2-10,14-15,18,24H,11-13H2,1H3,(H,26,27)/t18-/m0/s1.
What are the key properties of 5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole?
5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole has a molecular weight of 385.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole is sourced from PubChem (CID 95217578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).