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

C23H27N3O2 — CID 175208942

IUPAC4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol
SMILESCc1c(-c2ccc(OCCN3CCCCC3)cc2)n[nH]c1-c1ccc(O)cc1
InChIInChI=1S/C23H27N3O2/c1-17-22(18-5-9-20(27)10-6-18)24-25-23(17)19-7-11-21(12-8-19)28-16-15-26-13-3-2-4-14-26/h5-12,27H,2-4,13-16H2,1H3,(H,24,25)
InChIKeyMVLQYFYAKFXIEG-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.62
Rot. Bonds6

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

4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol (PubChem CID 175208942) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol
PubChem CID175208942
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol
SMILESCc1c(-c2ccc(OCCN3CCCCC3)cc2)n[nH]c1-c1ccc(O)cc1
InChIInChI=1S/C23H27N3O2/c1-17-22(18-5-9-20(27)10-6-18)24-25-23(17)19-7-11-21(12-8-19)28-16-15-26-13-3-2-4-14-26/h5-12,27H,2-4,13-16H2,1H3,(H,24,25)
InChIKeyMVLQYFYAKFXIEG-UHFFFAOYSA-N
XLogP4.62
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone
CID 175108845
4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
CID 138740429
4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride
CID 135549351
4-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
CID 138740459
4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol
CID 174448613
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine
CID 3070797
4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol
CID 171935752
4-[(4R,5S)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol;dihydrochloride
CID 11247621
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol?
The IUPAC name of 4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol (CID 175208942) is 4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol is Cc1c(-c2ccc(OCCN3CCCCC3)cc2)n[nH]c1-c1ccc(O)cc1.
What is the InChIKey of 4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol?
The InChIKey is MVLQYFYAKFXIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-22(18-5-9-20(27)10-6-18)24-25-23(17)19-7-11-21(12-8-19)28-16-15-26-13-3-2-4-14-26/h5-12,27H,2-4,13-16H2,1H3,(H,24,25).
What are the key properties of 4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol?
4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol has a molecular weight of 377.49 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 175208942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).