1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine

C15H29N3O — CID 105161582

IUPAC1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine
SMILESCCCOCCC(Cc1cc(CC)nn1CC)NC
InChIInChI=1S/C15H29N3O/c1-5-9-19-10-8-14(16-4)12-15-11-13(6-2)17-18(15)7-3/h11,14,16H,5-10,12H2,1-4H3
InChIKeyYCTLNTYYVGNTTC-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.41
Rot. Bonds10

About 1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine

1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine (PubChem CID 105161582) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine
PubChem CID105161582
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine
SMILESCCCOCCC(Cc1cc(CC)nn1CC)NC
InChIInChI=1S/C15H29N3O/c1-5-9-19-10-8-14(16-4)12-15-11-13(6-2)17-18(15)7-3/h11,14,16H,5-10,12H2,1-4H3
InChIKeyYCTLNTYYVGNTTC-UHFFFAOYSA-N
XLogP2.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine
CID 79404804
4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 105160159
1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine
CID 103559525
1-(1,3-diethylpyrazol-5-yl)-N-propan-2-ylhexan-2-amine
CID 79412564
[1-(1,3-diethylpyrazol-5-yl)-3-methylpentan-2-yl]hydrazine
CID 105219741
[1-(1,3-diethylpyrazol-5-yl)-3-ethoxybutan-2-yl]hydrazine
CID 105222951
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine
CID 105002717
3,5-diethyl-1-(2-propoxyethyl)pyrazole
CID 106458013
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79953771
1-(1,3-diethylpyrazol-5-yl)hexan-2-amine
CID 79411779
1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine
CID 116723522
2-(1,3-diethylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylethanamine
CID 105161684

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine (CID 105161582) is 1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine is CCCOCCC(Cc1cc(CC)nn1CC)NC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine?
The InChIKey is YCTLNTYYVGNTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-9-19-10-8-14(16-4)12-15-11-13(6-2)17-18(15)7-3/h11,14,16H,5-10,12H2,1-4H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine?
1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine is sourced from PubChem (CID 105161582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).