5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide

C25H30N4O2 — CID 55951357

IUPAC5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCN(Cc3ccccc3OC)CC2)cnn1-c1ccccc1
InChIInChI=1S/C25H30N4O2/c1-3-23-22(17-26-29(23)21-10-5-4-6-11-21)25(30)27-20-13-15-28(16-14-20)18-19-9-7-8-12-24(19)31-2/h4-12,17,20H,3,13-16,18H2,1-2H3,(H,27,30)
InChIKeyOQOPGCFYOYUVKL-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.84
Rot. Bonds7

About 5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide

5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide (PubChem CID 55951357) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
PubChem CID55951357
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCN(Cc3ccccc3OC)CC2)cnn1-c1ccccc1
InChIInChI=1S/C25H30N4O2/c1-3-23-22(17-26-29(23)21-10-5-4-6-11-21)25(30)27-20-13-15-28(16-14-20)18-19-9-7-8-12-24(19)31-2/h4-12,17,20H,3,13-16,18H2,1-2H3,(H,27,30)
InChIKeyOQOPGCFYOYUVKL-UHFFFAOYSA-N
XLogP3.84
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide (CID 55951357) is 5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide is CCc1c(C(=O)NC2CCN(Cc3ccccc3OC)CC2)cnn1-c1ccccc1.
What is the InChIKey of 5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is OQOPGCFYOYUVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-3-23-22(17-26-29(23)21-10-5-4-6-11-21)25(30)27-20-13-15-28(16-14-20)18-19-9-7-8-12-24(19)31-2/h4-12,17,20H,3,13-16,18H2,1-2H3,(H,27,30).
What are the key properties of 5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide?
5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55951357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).