1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide

C20H27N3O2 — CID 129370018

IUPAC1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCCCO[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H27N3O2/c1-14-19(15(2)23(3)22-14)20(24)21-12-7-13-25-18-11-6-9-16-8-4-5-10-17(16)18/h4-5,8,10,18H,6-7,9,11-13H2,1-3H3,(H,21,24)/t18-/m1/s1
InChIKeyJEQLBSCATMTCHG-GOSISDBHSA-N
MW341.46 g/mol
LogP3.25
Rot. Bonds6

About 1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide (PubChem CID 129370018) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide
PubChem CID129370018
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCCCO[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H27N3O2/c1-14-19(15(2)23(3)22-14)20(24)21-12-7-13-25-18-11-6-9-16-8-4-5-10-17(16)18/h4-5,8,10,18H,6-7,9,11-13H2,1-3H3,(H,21,24)/t18-/m1/s1
InChIKeyJEQLBSCATMTCHG-GOSISDBHSA-N
XLogP3.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide (CID 129370018) is 1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCCCO[C@@H]1CCCc2ccccc21.
What is the InChIKey of 1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide?
The InChIKey is JEQLBSCATMTCHG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-19(15(2)23(3)22-14)20(24)21-12-7-13-25-18-11-6-9-16-8-4-5-10-17(16)18/h4-5,8,10,18H,6-7,9,11-13H2,1-3H3,(H,21,24)/t18-/m1/s1.
What are the key properties of 1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129370018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).