N-[(2-methoxynaphthalen-1-yl)methyl]-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C25H30F3N5O2 — CID 25213241

IUPACN-[(2-methoxynaphthalen-1-yl)methyl]-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCNCCN1CCC(n2nc(C(F)(F)F)cc2C(=O)NCc2c(OC)ccc3ccccc23)CC1
InChIInChI=1S/C25H30F3N5O2/c1-29-11-14-32-12-9-18(10-13-32)33-21(15-23(31-33)25(26,27)28)24(34)30-16-20-19-6-4-3-5-17(19)7-8-22(20)35-2/h3-8,15,18,29H,9-14,16H2,1-2H3,(H,30,34)
InChIKeyKOVBIIXCDLMRGC-UHFFFAOYSA-N
MW489.54 g/mol
LogP3.85
Rot. Bonds8

About N-[(2-methoxynaphthalen-1-yl)methyl]-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[(2-methoxynaphthalen-1-yl)methyl]-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 25213241) has the molecular formula C25H30F3N5O2 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methyl]-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methyl]-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID25213241
Molecular FormulaC25H30F3N5O2
Molecular Weight489.54 g/mol
Exact Mass489.24
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methyl]-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCNCCN1CCC(n2nc(C(F)(F)F)cc2C(=O)NCc2c(OC)ccc3ccccc23)CC1
InChIInChI=1S/C25H30F3N5O2/c1-29-11-14-32-12-9-18(10-13-32)33-21(15-23(31-33)25(26,27)28)24(34)30-16-20-19-6-4-3-5-17(19)7-8-22(20)35-2/h3-8,15,18,29H,9-14,16H2,1-2H3,(H,30,34)
InChIKeyKOVBIIXCDLMRGC-UHFFFAOYSA-N
XLogP3.85
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 25213241) is N-[(2-methoxynaphthalen-1-yl)methyl]-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methyl]-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methyl]-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CNCCN1CCC(n2nc(C(F)(F)F)cc2C(=O)NCc2c(OC)ccc3ccccc23)CC1.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methyl]-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is KOVBIIXCDLMRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N5O2/c1-29-11-14-32-12-9-18(10-13-32)33-21(15-23(31-33)25(26,27)28)24(34)30-16-20-19-6-4-3-5-17(19)7-8-22(20)35-2/h3-8,15,18,29H,9-14,16H2,1-2H3,(H,30,34).
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methyl]-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[(2-methoxynaphthalen-1-yl)methyl]-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methyl]-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 25213241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).