2-[1-(methoxymethyl)-3-phenylpyrazol-5-yl]-3-phenylmethoxy-N-(2-pyridin-2-ylethyl)benzamide

C32H30N4O3 — CID 140879386

IUPAC2-[1-(methoxymethyl)-3-phenylpyrazol-5-yl]-3-phenylmethoxy-N-(2-pyridin-2-ylethyl)benzamide
SMILESCOCn1nc(-c2ccccc2)cc1-c1c(OCc2ccccc2)cccc1C(=O)NCCc1ccccn1
InChIInChI=1S/C32H30N4O3/c1-38-23-36-29(21-28(35-36)25-13-6-3-7-14-25)31-27(32(37)34-20-18-26-15-8-9-19-33-26)16-10-17-30(31)39-22-24-11-4-2-5-12-24/h2-17,19,21H,18,20,22-23H2,1H3,(H,34,37)
InChIKeyDYSLANUTOWBZLN-UHFFFAOYSA-N
MW518.62 g/mol
LogP5.77
Rot. Bonds11

About 2-[1-(methoxymethyl)-3-phenylpyrazol-5-yl]-3-phenylmethoxy-N-(2-pyridin-2-ylethyl)benzamide

2-[1-(methoxymethyl)-3-phenylpyrazol-5-yl]-3-phenylmethoxy-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 140879386) has the molecular formula C32H30N4O3 and a molecular weight of 518.62 g/mol. Its IUPAC name is 2-[1-(methoxymethyl)-3-phenylpyrazol-5-yl]-3-phenylmethoxy-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-[1-(methoxymethyl)-3-phenylpyrazol-5-yl]-3-phenylmethoxy-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID140879386
Molecular FormulaC32H30N4O3
Molecular Weight518.62 g/mol
Exact Mass518.23
IUPAC Name2-[1-(methoxymethyl)-3-phenylpyrazol-5-yl]-3-phenylmethoxy-N-(2-pyridin-2-ylethyl)benzamide
SMILESCOCn1nc(-c2ccccc2)cc1-c1c(OCc2ccccc2)cccc1C(=O)NCCc1ccccn1
InChIInChI=1S/C32H30N4O3/c1-38-23-36-29(21-28(35-36)25-13-6-3-7-14-25)31-27(32(37)34-20-18-26-15-8-9-19-33-26)16-10-17-30(31)39-22-24-11-4-2-5-12-24/h2-17,19,21H,18,20,22-23H2,1H3,(H,34,37)
InChIKeyDYSLANUTOWBZLN-UHFFFAOYSA-N
XLogP5.77
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.62
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide
CID 7212347
1-(4-methoxyphenyl)-3-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42754625
7-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46170354
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 46171104
5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 46104817
2-methyl-1-[(2-phenylmethoxyphenyl)methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193897
1-(2-methoxyethyl)-N-(2-pyridin-2-ylethyl)indole-4-carboxamide
CID 71701248
1-benzyl-6-oxo-N-(2-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 35864486
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 3348957
(E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 39299939
5-(4-methoxyphenyl)-1-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 55775417

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methoxymethyl)-3-phenylpyrazol-5-yl]-3-phenylmethoxy-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 2-[1-(methoxymethyl)-3-phenylpyrazol-5-yl]-3-phenylmethoxy-N-(2-pyridin-2-ylethyl)benzamide (CID 140879386) is 2-[1-(methoxymethyl)-3-phenylpyrazol-5-yl]-3-phenylmethoxy-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 2-[1-(methoxymethyl)-3-phenylpyrazol-5-yl]-3-phenylmethoxy-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 2-[1-(methoxymethyl)-3-phenylpyrazol-5-yl]-3-phenylmethoxy-N-(2-pyridin-2-ylethyl)benzamide is COCn1nc(-c2ccccc2)cc1-c1c(OCc2ccccc2)cccc1C(=O)NCCc1ccccn1.
What is the InChIKey of 2-[1-(methoxymethyl)-3-phenylpyrazol-5-yl]-3-phenylmethoxy-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is DYSLANUTOWBZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O3/c1-38-23-36-29(21-28(35-36)25-13-6-3-7-14-25)31-27(32(37)34-20-18-26-15-8-9-19-33-26)16-10-17-30(31)39-22-24-11-4-2-5-12-24/h2-17,19,21H,18,20,22-23H2,1H3,(H,34,37).
What are the key properties of 2-[1-(methoxymethyl)-3-phenylpyrazol-5-yl]-3-phenylmethoxy-N-(2-pyridin-2-ylethyl)benzamide?
2-[1-(methoxymethyl)-3-phenylpyrazol-5-yl]-3-phenylmethoxy-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 518.62 g/mol, XLogP of 5.77, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methoxymethyl)-3-phenylpyrazol-5-yl]-3-phenylmethoxy-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 140879386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).