3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide

C20H27N3O2 — CID 95378072

IUPAC3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide
SMILESCn1cc(CCC(=O)NCCCO[C@@H]2CCCc3ccccc32)cn1
InChIInChI=1S/C20H27N3O2/c1-23-15-16(14-22-23)10-11-20(24)21-12-5-13-25-19-9-4-7-17-6-2-3-8-18(17)19/h2-3,6,8,14-15,19H,4-5,7,9-13H2,1H3,(H,21,24)/t19-/m1/s1
InChIKeyYCNMWSCZVNSDCS-LJQANCHMSA-N
MW341.46 g/mol
LogP2.95
Rot. Bonds8

About 3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide

3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide (PubChem CID 95378072) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide
PubChem CID95378072
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide
SMILESCn1cc(CCC(=O)NCCCO[C@@H]2CCCc3ccccc32)cn1
InChIInChI=1S/C20H27N3O2/c1-23-15-16(14-22-23)10-11-20(24)21-12-5-13-25-19-9-4-7-17-6-2-3-8-18(17)19/h2-3,6,8,14-15,19H,4-5,7,9-13H2,1H3,(H,21,24)/t19-/m1/s1
InChIKeyYCNMWSCZVNSDCS-LJQANCHMSA-N
XLogP2.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.95
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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Related Compounds

2-amino-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide;hydrochloride
CID 119325756
2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
CID 95378094
3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide
CID 95378082
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoylamino]butanoic acid
CID 122002145
4-amino-3-methoxy-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]butanamide
CID 120592406
1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide
CID 129370018
1-[(2R)-1-hydroxypropan-2-yl]-3-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]urea
CID 95906107
2-(oxan-4-yl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide
CID 119032738
1-[(2R)-4-hydroxybutan-2-yl]-3-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]urea
CID 97086994
2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide
CID 119787357
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
CID 95378104
2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
CID 95378100

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide (CID 95378072) is 3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide is Cn1cc(CCC(=O)NCCCO[C@@H]2CCCc3ccccc32)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide?
The InChIKey is YCNMWSCZVNSDCS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-23-15-16(14-22-23)10-11-20(24)21-12-5-13-25-19-9-4-7-17-6-2-3-8-18(17)19/h2-3,6,8,14-15,19H,4-5,7,9-13H2,1H3,(H,21,24)/t19-/m1/s1.
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide?
3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide has a molecular weight of 341.46 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide is sourced from PubChem (CID 95378072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).