N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine

C13H25N3O — CID 82941029

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNC(C)c1cn(C)nc1C
InChIInChI=1S/C13H25N3O/c1-5-8-17-9-6-7-14-11(2)13-10-16(4)15-12(13)3/h10-11,14H,5-9H2,1-4H3
InChIKeyUMVMVJNZMQXAEI-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.20
Rot. Bonds8

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine (PubChem CID 82941029) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine
PubChem CID82941029
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNC(C)c1cn(C)nc1C
InChIInChI=1S/C13H25N3O/c1-5-8-17-9-6-7-14-11(2)13-10-16(4)15-12(13)3/h10-11,14H,5-9H2,1-4H3
InChIKeyUMVMVJNZMQXAEI-UHFFFAOYSA-N
XLogP2.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.20
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-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine (CID 82941029) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine is CCCOCCCNC(C)c1cn(C)nc1C.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine?
The InChIKey is UMVMVJNZMQXAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-8-17-9-6-7-14-11(2)13-10-16(4)15-12(13)3/h10-11,14H,5-9H2,1-4H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine is sourced from PubChem (CID 82941029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).