3-(3-imidazol-1-yl-4-methylphenyl)-5-(oxan-3-ylmethyl)-1H-pyrazole

C19H22N4O — CID 141430291

IUPAC3-(3-imidazol-1-yl-4-methylphenyl)-5-(oxan-3-ylmethyl)-1H-pyrazole
SMILESCc1ccc(-c2cc(CC3CCCOC3)[nH]n2)cc1-n1ccnc1
InChIInChI=1S/C19H22N4O/c1-14-4-5-16(10-19(14)23-7-6-20-13-23)18-11-17(21-22-18)9-15-3-2-8-24-12-15/h4-7,10-11,13,15H,2-3,8-9,12H2,1H3,(H,21,22)
InChIKeyQSGPPTAIQZJLSK-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.54
Rot. Bonds4

About 3-(3-imidazol-1-yl-4-methylphenyl)-5-(oxan-3-ylmethyl)-1H-pyrazole

3-(3-imidazol-1-yl-4-methylphenyl)-5-(oxan-3-ylmethyl)-1H-pyrazole (PubChem CID 141430291) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-(3-imidazol-1-yl-4-methylphenyl)-5-(oxan-3-ylmethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(3-imidazol-1-yl-4-methylphenyl)-5-(oxan-3-ylmethyl)-1H-pyrazole
PubChem CID141430291
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-(3-imidazol-1-yl-4-methylphenyl)-5-(oxan-3-ylmethyl)-1H-pyrazole
SMILESCc1ccc(-c2cc(CC3CCCOC3)[nH]n2)cc1-n1ccnc1
InChIInChI=1S/C19H22N4O/c1-14-4-5-16(10-19(14)23-7-6-20-13-23)18-11-17(21-22-18)9-15-3-2-8-24-12-15/h4-7,10-11,13,15H,2-3,8-9,12H2,1H3,(H,21,22)
InChIKeyQSGPPTAIQZJLSK-UHFFFAOYSA-N
XLogP3.54
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-yl-4-methylphenyl)-5-(oxan-3-ylmethyl)-1H-pyrazole?
The IUPAC name of 3-(3-imidazol-1-yl-4-methylphenyl)-5-(oxan-3-ylmethyl)-1H-pyrazole (CID 141430291) is 3-(3-imidazol-1-yl-4-methylphenyl)-5-(oxan-3-ylmethyl)-1H-pyrazole.
What is the SMILES notation for 3-(3-imidazol-1-yl-4-methylphenyl)-5-(oxan-3-ylmethyl)-1H-pyrazole?
The canonical SMILES for 3-(3-imidazol-1-yl-4-methylphenyl)-5-(oxan-3-ylmethyl)-1H-pyrazole is Cc1ccc(-c2cc(CC3CCCOC3)[nH]n2)cc1-n1ccnc1.
What is the InChIKey of 3-(3-imidazol-1-yl-4-methylphenyl)-5-(oxan-3-ylmethyl)-1H-pyrazole?
The InChIKey is QSGPPTAIQZJLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-4-5-16(10-19(14)23-7-6-20-13-23)18-11-17(21-22-18)9-15-3-2-8-24-12-15/h4-7,10-11,13,15H,2-3,8-9,12H2,1H3,(H,21,22).
What are the key properties of 3-(3-imidazol-1-yl-4-methylphenyl)-5-(oxan-3-ylmethyl)-1H-pyrazole?
3-(3-imidazol-1-yl-4-methylphenyl)-5-(oxan-3-ylmethyl)-1H-pyrazole has a molecular weight of 322.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-yl-4-methylphenyl)-5-(oxan-3-ylmethyl)-1H-pyrazole is sourced from PubChem (CID 141430291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).