N,N-dimethyl-3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine

C15H21N3O — CID 3070799

IUPACN,N-dimethyl-3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine
SMILESCc1c(OCCCN(C)C)n[nH]c1-c1ccccc1
InChIInChI=1S/C15H21N3O/c1-12-14(13-8-5-4-6-9-13)16-17-15(12)19-11-7-10-18(2)3/h4-6,8-9H,7,10-11H2,1-3H3,(H,16,17)
InChIKeyQZHGWYXMDLPKIA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.72
Rot. Bonds6

About N,N-dimethyl-3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine

N,N-dimethyl-3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine (PubChem CID 3070799) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N,N-dimethyl-3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine
PubChem CID3070799
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN,N-dimethyl-3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine
SMILESCc1c(OCCCN(C)C)n[nH]c1-c1ccccc1
InChIInChI=1S/C15H21N3O/c1-12-14(13-8-5-4-6-9-13)16-17-15(12)19-11-7-10-18(2)3/h4-6,8-9H,7,10-11H2,1-3H3,(H,16,17)
InChIKeyQZHGWYXMDLPKIA-UHFFFAOYSA-N
XLogP2.72
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N,N-dimethyl-3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine (CID 3070799) is N,N-dimethyl-3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine is Cc1c(OCCCN(C)C)n[nH]c1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The InChIKey is QZHGWYXMDLPKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-14(13-8-5-4-6-9-13)16-17-15(12)19-11-7-10-18(2)3/h4-6,8-9H,7,10-11H2,1-3H3,(H,16,17).
What are the key properties of N,N-dimethyl-3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
N,N-dimethyl-3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine is sourced from PubChem (CID 3070799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).