1-(4-methoxyphenyl)-N-[1-[2-(morpholin-4-ylmethyl)phenyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C28H32F3N5O3 — CID 23648159

IUPAC1-(4-methoxyphenyl)-N-[1-[2-(morpholin-4-ylmethyl)phenyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCN(c3ccccc3CN3CCOCC3)CC2)cc1
InChIInChI=1S/C28H32F3N5O3/c1-38-23-8-6-22(7-9-23)36-25(18-26(33-36)28(29,30)31)27(37)32-21-10-12-35(13-11-21)24-5-3-2-4-20(24)19-34-14-16-39-17-15-34/h2-9,18,21H,10-17,19H2,1H3,(H,32,37)
InChIKeyGEZSGMSCSMDRCW-UHFFFAOYSA-N
MW543.59 g/mol
LogP4.13
Rot. Bonds7

About 1-(4-methoxyphenyl)-N-[1-[2-(morpholin-4-ylmethyl)phenyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-(4-methoxyphenyl)-N-[1-[2-(morpholin-4-ylmethyl)phenyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 23648159) has the molecular formula C28H32F3N5O3 and a molecular weight of 543.59 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[1-[2-(morpholin-4-ylmethyl)phenyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[1-[2-(morpholin-4-ylmethyl)phenyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID23648159
Molecular FormulaC28H32F3N5O3
Molecular Weight543.59 g/mol
Exact Mass543.25
IUPAC Name1-(4-methoxyphenyl)-N-[1-[2-(morpholin-4-ylmethyl)phenyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCN(c3ccccc3CN3CCOCC3)CC2)cc1
InChIInChI=1S/C28H32F3N5O3/c1-38-23-8-6-22(7-9-23)36-25(18-26(33-36)28(29,30)31)27(37)32-21-10-12-35(13-11-21)24-5-3-2-4-20(24)19-34-14-16-39-17-15-34/h2-9,18,21H,10-17,19H2,1H3,(H,32,37)
InChIKeyGEZSGMSCSMDRCW-UHFFFAOYSA-N
XLogP4.13
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.59
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[1-[2-(morpholin-4-ylmethyl)phenyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[1-[2-(morpholin-4-ylmethyl)phenyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 23648159) is 1-(4-methoxyphenyl)-N-[1-[2-(morpholin-4-ylmethyl)phenyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[1-[2-(morpholin-4-ylmethyl)phenyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[1-[2-(morpholin-4-ylmethyl)phenyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCN(c3ccccc3CN3CCOCC3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[1-[2-(morpholin-4-ylmethyl)phenyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is GEZSGMSCSMDRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O3/c1-38-23-8-6-22(7-9-23)36-25(18-26(33-36)28(29,30)31)27(37)32-21-10-12-35(13-11-21)24-5-3-2-4-20(24)19-34-14-16-39-17-15-34/h2-9,18,21H,10-17,19H2,1H3,(H,32,37).
What are the key properties of 1-(4-methoxyphenyl)-N-[1-[2-(morpholin-4-ylmethyl)phenyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(4-methoxyphenyl)-N-[1-[2-(morpholin-4-ylmethyl)phenyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 543.59 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[1-[2-(morpholin-4-ylmethyl)phenyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 23648159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).