(4-ethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C24H27N3O2 — CID 71839683

IUPAC(4-ethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(c3cc(-c4cccc(OC)c4)n[nH]3)CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-3-17-7-9-19(10-8-17)24(28)27-13-11-18(12-14-27)22-16-23(26-25-22)20-5-4-6-21(15-20)29-2/h4-10,15-16,18H,3,11-14H2,1-2H3,(H,25,26)
InChIKeyYVBXIKDBMXZVHQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.67
Rot. Bonds5

About (4-ethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

(4-ethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 71839683) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID71839683
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(4-ethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(c3cc(-c4cccc(OC)c4)n[nH]3)CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-3-17-7-9-19(10-8-17)24(28)27-13-11-18(12-14-27)22-16-23(26-25-22)20-5-4-6-21(15-20)29-2/h4-10,15-16,18H,3,11-14H2,1-2H3,(H,25,26)
InChIKeyYVBXIKDBMXZVHQ-UHFFFAOYSA-N
XLogP4.67
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 71839683) is (4-ethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is CCc1ccc(C(=O)N2CCC(c3cc(-c4cccc(OC)c4)n[nH]3)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is YVBXIKDBMXZVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-3-17-7-9-19(10-8-17)24(28)27-13-11-18(12-14-27)22-16-23(26-25-22)20-5-4-6-21(15-20)29-2/h4-10,15-16,18H,3,11-14H2,1-2H3,(H,25,26).
What are the key properties of (4-ethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
(4-ethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 71839683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).