N-[3-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxamide

C29H36F3N5O3 — CID 139422197

About N-[3-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxamide

N-[3-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 139422197) has the molecular formula C29H36F3N5O3 and a molecular weight of 559.63 g/mol. Its IUPAC name is N-[3-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxamide
• PubChem CID: 139422197
• Molecular Formula: C29H36F3N5O3
• Molecular Weight: 559.63 g/mol
• Exact Mass: 559.28
• IUPAC Name: N-[3-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxamide
• SMILES: CC(C)(C)OCc1nn(CCc2ccc3c(n2)NCCC3)cc1C(=O)NC(CCO)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C29H36F3N5O3/c1-28(2,3)40-18-25-23(17-37(36-25)15-12-22-11-8-20-5-4-14-33-26(20)34-22)27(39)35-24(13-16-38)19-6-9-21(10-7-19)29(30,31)32/h6-11,17,24,38H,4-5,12-16,18H2,1-3H3,(H,33,34)(H,35,39)
• InChIKey: SYLCUYYAEYOLDO-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 101.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.63
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxamide?

The IUPAC name of N-[3-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxamide (CID 139422197) is N-[3-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-[3-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxamide?

The canonical SMILES for N-[3-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxamide is CC(C)(C)OCc1nn(CCc2ccc3c(n2)NCCC3)cc1C(=O)NC(CCO)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-[3-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxamide?

The InChIKey is SYLCUYYAEYOLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F3N5O3/c1-28(2,3)40-18-25-23(17-37(36-25)15-12-22-11-8-20-5-4-14-33-26(20)34-22)27(39)35-24(13-16-38)19-6-9-21(10-7-19)29(30,31)32/h6-11,17,24,38H,4-5,12-16,18H2,1-3H3,(H,33,34)(H,35,39).

What are the key properties of N-[3-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxamide?

N-[3-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 559.63 g/mol, XLogP of 5.07, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139422197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).