(4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone

C30H31N3O3 — CID 175108845

IUPAC(4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone
SMILESCc1c(-c2ccccc2)nn(C(=O)c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C30H31N3O3/c1-22-28(23-8-4-2-5-9-23)31-33(30(35)25-10-14-26(34)15-11-25)29(22)24-12-16-27(17-13-24)36-21-20-32-18-6-3-7-19-32/h2,4-5,8-17,34H,3,6-7,18-21H2,1H3
InChIKeyHECMUMFKDHSLDN-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.78
Rot. Bonds7

About (4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone

(4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone (PubChem CID 175108845) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone
PubChem CID175108845
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC Name(4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone
SMILESCc1c(-c2ccccc2)nn(C(=O)c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C30H31N3O3/c1-22-28(23-8-4-2-5-9-23)31-33(30(35)25-10-14-26(34)15-11-25)29(22)24-12-16-27(17-13-24)36-21-20-32-18-6-3-7-19-32/h2,4-5,8-17,34H,3,6-7,18-21H2,1H3
InChIKeyHECMUMFKDHSLDN-UHFFFAOYSA-N
XLogP5.78
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol
CID 175208942
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
2-(4-hydroxyphenyl)-3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-2-en-1-one
CID 67236853
4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
CID 138740429
4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol
CID 174448613
4-phenylphenol;1-[3-(4-phenylphenoxy)propyl]pyrrolidine;3-pyrrolidin-1-ylpropan-1-ol
CID 161417756
1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine
CID 162646932
4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide
CID 138740322
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone (CID 175108845) is (4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone is Cc1c(-c2ccccc2)nn(C(=O)c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of (4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone?
The InChIKey is HECMUMFKDHSLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-22-28(23-8-4-2-5-9-23)31-33(30(35)25-10-14-26(34)15-11-25)29(22)24-12-16-27(17-13-24)36-21-20-32-18-6-3-7-19-32/h2,4-5,8-17,34H,3,6-7,18-21H2,1H3.
What are the key properties of (4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone?
(4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone has a molecular weight of 481.60 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone is sourced from PubChem (CID 175108845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).