1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine

C16H31N3O — CID 62730531

IUPAC1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cnn(CCOCCC(C)C)c1
InChIInChI=1S/C16H31N3O/c1-5-8-17-16(6-2)15-12-18-19(13-15)9-11-20-10-7-14(3)4/h12-14,16-17H,5-11H2,1-4H3
InChIKeyUIAXKOZFLHBMOF-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.40
Rot. Bonds11

About 1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine

1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine (PubChem CID 62730531) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine
PubChem CID62730531
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cnn(CCOCCC(C)C)c1
InChIInChI=1S/C16H31N3O/c1-5-8-17-16(6-2)15-12-18-19(13-15)9-11-20-10-7-14(3)4/h12-14,16-17H,5-11H2,1-4H3
InChIKeyUIAXKOZFLHBMOF-UHFFFAOYSA-N
XLogP3.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.40
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

1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731441
N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 62731248
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731623
N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 79088395
3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63889821
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 115816153
1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62730353
3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103149818
1-[1-(2-butoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 62731777
1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731798
[3-ethoxy-1-(1-propylpyrazol-4-yl)propyl]hydrazine
CID 105288600

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine (CID 62730531) is 1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine is CCCNC(CC)c1cnn(CCOCCC(C)C)c1.
What is the InChIKey of 1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine?
The InChIKey is UIAXKOZFLHBMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-8-17-16(6-2)15-12-18-19(13-15)9-11-20-10-7-14(3)4/h12-14,16-17H,5-11H2,1-4H3.
What are the key properties of 1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine?
1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.40, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 62730531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).