2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine

C13H25N3 — CID 103014342

IUPAC2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNCC(CC)CCc1ccnn1C
InChIInChI=1S/C13H25N3/c1-4-9-14-11-12(5-2)6-7-13-8-10-15-16(13)3/h8,10,12,14H,4-7,9,11H2,1-3H3
InChIKeyGBOXBJNPFNLKJE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.38
Rot. Bonds8

About 2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine

2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine (PubChem CID 103014342) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
PubChem CID103014342
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNCC(CC)CCc1ccnn1C
InChIInChI=1S/C13H25N3/c1-4-9-14-11-12(5-2)6-7-13-8-10-15-16(13)3/h8,10,12,14H,4-7,9,11H2,1-3H3
InChIKeyGBOXBJNPFNLKJE-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014722
N-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014550
3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 103004378
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide
CID 106085796
5-[4-bromo-3-(bromomethyl)butyl]-1-methylpyrazole
CID 103019011
3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol
CID 114168416
N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine
CID 103004060
6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103009592
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014306
1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030501

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine (CID 103014342) is 2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine is CCCNCC(CC)CCc1ccnn1C.
What is the InChIKey of 2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine?
The InChIKey is GBOXBJNPFNLKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-9-14-11-12(5-2)6-7-13-8-10-15-16(13)3/h8,10,12,14H,4-7,9,11H2,1-3H3.
What are the key properties of 2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine?
2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 103014342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).