(2,5-dimethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C24H27N3O2 — CID 71839684

IUPAC(2,5-dimethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)c4cc(C)ccc4C)CC3)[nH]n2)c1
InChIInChI=1S/C24H27N3O2/c1-16-7-8-17(2)21(13-16)24(28)27-11-9-18(10-12-27)22-15-23(26-25-22)19-5-4-6-20(14-19)29-3/h4-8,13-15,18H,9-12H2,1-3H3,(H,25,26)
InChIKeyUZNXPVVAPRBLJE-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.72
Rot. Bonds4

About (2,5-dimethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

(2,5-dimethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 71839684) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID71839684
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(2,5-dimethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)c4cc(C)ccc4C)CC3)[nH]n2)c1
InChIInChI=1S/C24H27N3O2/c1-16-7-8-17(2)21(13-16)24(28)27-11-9-18(10-12-27)22-15-23(26-25-22)19-5-4-6-20(14-19)29-3/h4-8,13-15,18H,9-12H2,1-3H3,(H,25,26)
InChIKeyUZNXPVVAPRBLJE-UHFFFAOYSA-N
XLogP4.72
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 71839684) is (2,5-dimethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is COc1cccc(-c2cc(C3CCN(C(=O)c4cc(C)ccc4C)CC3)[nH]n2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is UZNXPVVAPRBLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16-7-8-17(2)21(13-16)24(28)27-11-9-18(10-12-27)22-15-23(26-25-22)19-5-4-6-20(14-19)29-3/h4-8,13-15,18H,9-12H2,1-3H3,(H,25,26).
What are the key properties of (2,5-dimethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
(2,5-dimethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 71839684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).