N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine

C14H25N3O — CID 112668905

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine
SMILESCCc1nn(C)cc1CNCCCC1CCCO1
InChIInChI=1S/C14H25N3O/c1-3-14-12(11-17(2)16-14)10-15-8-4-6-13-7-5-9-18-13/h11,13,15H,3-10H2,1-2H3
InChIKeyICSBRDVOFPFMCA-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.03
Rot. Bonds7

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine (PubChem CID 112668905) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine
PubChem CID112668905
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine
SMILESCCc1nn(C)cc1CNCCCC1CCCO1
InChIInChI=1S/C14H25N3O/c1-3-14-12(11-17(2)16-14)10-15-8-4-6-13-7-5-9-18-13/h11,13,15H,3-10H2,1-2H3
InChIKeyICSBRDVOFPFMCA-UHFFFAOYSA-N
XLogP2.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.03
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

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115885370
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 115885360
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 112549208
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine
CID 115885749
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 102810436
2-(azepan-1-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549234
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 102810418
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine
CID 103893940
N-[(6-methyl-2-pyridinyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163956
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106718975
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 112549263
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine (CID 112668905) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine is CCc1nn(C)cc1CNCCCC1CCCO1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is ICSBRDVOFPFMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-14-12(11-17(2)16-14)10-15-8-4-6-13-7-5-9-18-13/h11,13,15H,3-10H2,1-2H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 112668905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).