N-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine

C13H25N3O — CID 43765327

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C13H25N3O/c1-5-17-8-6-7-14-9-12-10-15-16(11-12)13(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyWURCNLRZESIWOZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.15
Rot. Bonds7

About N-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine

N-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine (PubChem CID 43765327) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
PubChem CID43765327
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C13H25N3O/c1-5-17-8-6-7-14-9-12-10-15-16(11-12)13(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyWURCNLRZESIWOZ-UHFFFAOYSA-N
XLogP2.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.15
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

6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol
CID 103924056
3-ethoxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propan-1-amine
CID 122166200
N-[(1-tert-butylpyrazol-4-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923032
5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide
CID 106234065
N-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634219
4-[(1-tert-butylpyrazol-4-yl)methylamino]-1-methoxybutan-2-ol
CID 103876413
4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide
CID 112729982
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352384
2-(azepan-1-yl)-N-[(1-tert-butylpyrazol-4-yl)methyl]ethanamine
CID 60956791
3-butoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 113234781
N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline
CID 43792111
1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802349

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine (CID 43765327) is N-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine is CCOCCCNCc1cnn(C(C)(C)C)c1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine?
The InChIKey is WURCNLRZESIWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-17-8-6-7-14-9-12-10-15-16(11-12)13(2,3)4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine?
N-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine is sourced from PubChem (CID 43765327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).