N-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine

C14H27N3O — CID 106458322

IUPACN-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(CCOCC(C)C)cc1CNC(C)C
InChIInChI=1S/C14H27N3O/c1-11(2)10-18-7-6-17-9-14(13(5)16-17)8-15-12(3)4/h9,11-12,15H,6-8,10H2,1-5H3
InChIKeyYPZBKKNJYRPZPD-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.36
Rot. Bonds8

About N-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine

N-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 106458322) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine
PubChem CID106458322
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(CCOCC(C)C)cc1CNC(C)C
InChIInChI=1S/C14H27N3O/c1-11(2)10-18-7-6-17-9-14(13(5)16-17)8-15-12(3)4/h9,11-12,15H,6-8,10H2,1-5H3
InChIKeyYPZBKKNJYRPZPD-UHFFFAOYSA-N
XLogP2.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.36
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 N-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine (CID 106458322) is N-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine is Cc1nn(CCOCC(C)C)cc1CNC(C)C.
What is the InChIKey of N-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is YPZBKKNJYRPZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)10-18-7-6-17-9-14(13(5)16-17)8-15-12(3)4/h9,11-12,15H,6-8,10H2,1-5H3.
What are the key properties of N-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine?
N-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106458322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).