4-[5-(4-chlorophenyl)-1-(2-ethylphenyl)pyrazol-3-yl]oxypiperidine-1-carboxylic acid

C23H24ClN3O3 — CID 90200028

IUPAC4-[5-(4-chlorophenyl)-1-(2-ethylphenyl)pyrazol-3-yl]oxypiperidine-1-carboxylic acid
SMILESCCc1ccccc1-n1nc(OC2CCN(C(=O)O)CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O3/c1-2-16-5-3-4-6-20(16)27-21(17-7-9-18(24)10-8-17)15-22(25-27)30-19-11-13-26(14-12-19)23(28)29/h3-10,15,19H,2,11-14H2,1H3,(H,28,29)
InChIKeyBRUPHEMLFKOTOK-UHFFFAOYSA-N
MW425.92 g/mol
LogP5.28
Rot. Bonds5

About 4-[5-(4-chlorophenyl)-1-(2-ethylphenyl)pyrazol-3-yl]oxypiperidine-1-carboxylic acid

4-[5-(4-chlorophenyl)-1-(2-ethylphenyl)pyrazol-3-yl]oxypiperidine-1-carboxylic acid (PubChem CID 90200028) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1-(2-ethylphenyl)pyrazol-3-yl]oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1-(2-ethylphenyl)pyrazol-3-yl]oxypiperidine-1-carboxylic acid
PubChem CID90200028
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name4-[5-(4-chlorophenyl)-1-(2-ethylphenyl)pyrazol-3-yl]oxypiperidine-1-carboxylic acid
SMILESCCc1ccccc1-n1nc(OC2CCN(C(=O)O)CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O3/c1-2-16-5-3-4-6-20(16)27-21(17-7-9-18(24)10-8-17)15-22(25-27)30-19-11-13-26(14-12-19)23(28)29/h3-10,15,19H,2,11-14H2,1H3,(H,28,29)
InChIKeyBRUPHEMLFKOTOK-UHFFFAOYSA-N
XLogP5.28
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.92
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]amino] 2,2,2-trifluoroacetate
CID 90199369
4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 87802411
4-(3-chlorophenoxy)piperidine-1-carboxylic acid
CID 22353407
1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole
CID 19587123
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(3,4-difluorophenoxy)piperidine-1-carbonyl]pyrazol-4-yl]acetic acid
CID 67265331
4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 68924039
4-[3-[[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]phenoxy]piperidine-1-carboxylic acid
CID 68712260
1-[4-[2-(4-chlorophenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 154587269
2-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 71503409
[3-(4-chlorophenyl)-2-(2-ethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methylcarbamic acid
CID 141418043
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid
CID 87848540

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1-(2-ethylphenyl)pyrazol-3-yl]oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[5-(4-chlorophenyl)-1-(2-ethylphenyl)pyrazol-3-yl]oxypiperidine-1-carboxylic acid (CID 90200028) is 4-[5-(4-chlorophenyl)-1-(2-ethylphenyl)pyrazol-3-yl]oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1-(2-ethylphenyl)pyrazol-3-yl]oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1-(2-ethylphenyl)pyrazol-3-yl]oxypiperidine-1-carboxylic acid is CCc1ccccc1-n1nc(OC2CCN(C(=O)O)CC2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1-(2-ethylphenyl)pyrazol-3-yl]oxypiperidine-1-carboxylic acid?
The InChIKey is BRUPHEMLFKOTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-2-16-5-3-4-6-20(16)27-21(17-7-9-18(24)10-8-17)15-22(25-27)30-19-11-13-26(14-12-19)23(28)29/h3-10,15,19H,2,11-14H2,1H3,(H,28,29).
What are the key properties of 4-[5-(4-chlorophenyl)-1-(2-ethylphenyl)pyrazol-3-yl]oxypiperidine-1-carboxylic acid?
4-[5-(4-chlorophenyl)-1-(2-ethylphenyl)pyrazol-3-yl]oxypiperidine-1-carboxylic acid has a molecular weight of 425.92 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1-(2-ethylphenyl)pyrazol-3-yl]oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 90200028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).