4-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-4-hydroxycyclohexan-1-one

C23H24N2O4 — CID 67296510

IUPAC4-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-4-hydroxycyclohexan-1-one
SMILESCOc1ccc(-c2cc(C3(O)CCC(=O)CC3)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O4/c1-28-19-7-3-16(4-8-19)21-15-22(23(27)13-11-18(26)12-14-23)24-25(21)17-5-9-20(29-2)10-6-17/h3-10,15,27H,11-14H2,1-2H3
InChIKeyQQAXUULAWWMPRF-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.89
Rot. Bonds5

About 4-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-4-hydroxycyclohexan-1-one

4-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-4-hydroxycyclohexan-1-one (PubChem CID 67296510) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-4-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name4-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-4-hydroxycyclohexan-1-one
PubChem CID67296510
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name4-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-4-hydroxycyclohexan-1-one
SMILESCOc1ccc(-c2cc(C3(O)CCC(=O)CC3)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O4/c1-28-19-7-3-16(4-8-19)21-15-22(23(27)13-11-18(26)12-14-23)24-25(21)17-5-9-20(29-2)10-6-17/h3-10,15,27H,11-14H2,1-2H3
InChIKeyQQAXUULAWWMPRF-UHFFFAOYSA-N
XLogP3.89
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-4-hydroxycyclohexan-1-one?
The IUPAC name of 4-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-4-hydroxycyclohexan-1-one (CID 67296510) is 4-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-4-hydroxycyclohexan-1-one.
What is the SMILES notation for 4-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-4-hydroxycyclohexan-1-one?
The canonical SMILES for 4-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-4-hydroxycyclohexan-1-one is COc1ccc(-c2cc(C3(O)CCC(=O)CC3)nn2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-4-hydroxycyclohexan-1-one?
The InChIKey is QQAXUULAWWMPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-28-19-7-3-16(4-8-19)21-15-22(23(27)13-11-18(26)12-14-23)24-25(21)17-5-9-20(29-2)10-6-17/h3-10,15,27H,11-14H2,1-2H3.
What are the key properties of 4-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-4-hydroxycyclohexan-1-one?
4-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-4-hydroxycyclohexan-1-one has a molecular weight of 392.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-4-hydroxycyclohexan-1-one is sourced from PubChem (CID 67296510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).