5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-[(3S)-oxolan-3-yl]-4-phenylimidazole

C22H26N4O — CID 95226732

IUPAC5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-[(3S)-oxolan-3-yl]-4-phenylimidazole
SMILESc1ccc(-c2ncn([C@H]3CCOC3)c2-c2cn[nH]c2C2CCCCC2)cc1
InChIInChI=1S/C22H26N4O/c1-3-7-16(8-4-1)20-19(13-24-25-20)22-21(17-9-5-2-6-10-17)23-15-26(22)18-11-12-27-14-18/h2,5-6,9-10,13,15-16,18H,1,3-4,7-8,11-12,14H2,(H,24,25)/t18-/m0/s1
InChIKeyRYVREMMSTFYTPN-SFHVURJKSA-N
MW362.48 g/mol
LogP4.95
Rot. Bonds4

About 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-[(3S)-oxolan-3-yl]-4-phenylimidazole

5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-[(3S)-oxolan-3-yl]-4-phenylimidazole (PubChem CID 95226732) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-[(3S)-oxolan-3-yl]-4-phenylimidazole.

Molecular Properties

Compound Name5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-[(3S)-oxolan-3-yl]-4-phenylimidazole
PubChem CID95226732
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-[(3S)-oxolan-3-yl]-4-phenylimidazole
SMILESc1ccc(-c2ncn([C@H]3CCOC3)c2-c2cn[nH]c2C2CCCCC2)cc1
InChIInChI=1S/C22H26N4O/c1-3-7-16(8-4-1)20-19(13-24-25-20)22-21(17-9-5-2-6-10-17)23-15-26(22)18-11-12-27-14-18/h2,5-6,9-10,13,15-16,18H,1,3-4,7-8,11-12,14H2,(H,24,25)/t18-/m0/s1
InChIKeyRYVREMMSTFYTPN-SFHVURJKSA-N
XLogP4.95
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-[(3S)-oxolan-3-yl]-4-phenylimidazole?
The IUPAC name of 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-[(3S)-oxolan-3-yl]-4-phenylimidazole (CID 95226732) is 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-[(3S)-oxolan-3-yl]-4-phenylimidazole.
What is the SMILES notation for 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-[(3S)-oxolan-3-yl]-4-phenylimidazole?
The canonical SMILES for 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-[(3S)-oxolan-3-yl]-4-phenylimidazole is c1ccc(-c2ncn([C@H]3CCOC3)c2-c2cn[nH]c2C2CCCCC2)cc1.
What is the InChIKey of 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-[(3S)-oxolan-3-yl]-4-phenylimidazole?
The InChIKey is RYVREMMSTFYTPN-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-7-16(8-4-1)20-19(13-24-25-20)22-21(17-9-5-2-6-10-17)23-15-26(22)18-11-12-27-14-18/h2,5-6,9-10,13,15-16,18H,1,3-4,7-8,11-12,14H2,(H,24,25)/t18-/m0/s1.
What are the key properties of 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-[(3S)-oxolan-3-yl]-4-phenylimidazole?
5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-[(3S)-oxolan-3-yl]-4-phenylimidazole has a molecular weight of 362.48 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-[(3S)-oxolan-3-yl]-4-phenylimidazole is sourced from PubChem (CID 95226732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).