N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(3-phenylprop-2-ynyl)butan-2-amine

C19H25N3 — CID 46989833

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(3-phenylprop-2-ynyl)butan-2-amine
SMILESCCC(C)N(CC#Cc1ccccc1)Cc1cc(C)nn1C
InChIInChI=1S/C19H25N3/c1-5-17(3)22(15-19-14-16(2)20-21(19)4)13-9-12-18-10-7-6-8-11-18/h6-8,10-11,14,17H,5,13,15H2,1-4H3
InChIKeySCHFRVUQPTZIDE-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.38
Rot. Bonds5

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(3-phenylprop-2-ynyl)butan-2-amine

N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(3-phenylprop-2-ynyl)butan-2-amine (PubChem CID 46989833) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(3-phenylprop-2-ynyl)butan-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(3-phenylprop-2-ynyl)butan-2-amine
PubChem CID46989833
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(3-phenylprop-2-ynyl)butan-2-amine
SMILESCCC(C)N(CC#Cc1ccccc1)Cc1cc(C)nn1C
InChIInChI=1S/C19H25N3/c1-5-17(3)22(15-19-14-16(2)20-21(19)4)13-9-12-18-10-7-6-8-11-18/h6-8,10-11,14,17H,5,13,15H2,1-4H3
InChIKeySCHFRVUQPTZIDE-UHFFFAOYSA-N
XLogP3.38
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(3-phenylprop-2-ynyl)butan-2-amine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(3-phenylprop-2-ynyl)butan-2-amine (CID 46989833) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(3-phenylprop-2-ynyl)butan-2-amine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(3-phenylprop-2-ynyl)butan-2-amine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(3-phenylprop-2-ynyl)butan-2-amine is CCC(C)N(CC#Cc1ccccc1)Cc1cc(C)nn1C.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(3-phenylprop-2-ynyl)butan-2-amine?
The InChIKey is SCHFRVUQPTZIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-5-17(3)22(15-19-14-16(2)20-21(19)4)13-9-12-18-10-7-6-8-11-18/h6-8,10-11,14,17H,5,13,15H2,1-4H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(3-phenylprop-2-ynyl)butan-2-amine?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(3-phenylprop-2-ynyl)butan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(3-phenylprop-2-ynyl)butan-2-amine is sourced from PubChem (CID 46989833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).