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

C14H25N3O — CID 113347464

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)propan-1-amine
SMILESCCc1nn(C)cc1CNC(CC)C1CCOC1
InChIInChI=1S/C14H25N3O/c1-4-13(11-6-7-18-10-11)15-8-12-9-17(3)16-14(12)5-2/h9,11,13,15H,4-8,10H2,1-3H3
InChIKeyMPKGIKVNOYSORD-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.89
Rot. Bonds6

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

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)propan-1-amine (PubChem CID 113347464) 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]-1-(oxolan-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)propan-1-amine
PubChem CID113347464
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)propan-1-amine
SMILESCCc1nn(C)cc1CNC(CC)C1CCOC1
InChIInChI=1S/C14H25N3O/c1-4-13(11-6-7-18-10-11)15-8-12-9-17(3)16-14(12)5-2/h9,11,13,15H,4-8,10H2,1-3H3
InChIKeyMPKGIKVNOYSORD-UHFFFAOYSA-N
XLogP1.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 113243463
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine
CID 112550179
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 115716913
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139176
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 114987173
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 112549539
[2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229352
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-pentan-3-ylpropanamide
CID 115886870
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115885692
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 112668454
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine
CID 112669037

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)propan-1-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)propan-1-amine (CID 113347464) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)propan-1-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)propan-1-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)propan-1-amine is CCc1nn(C)cc1CNC(CC)C1CCOC1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)propan-1-amine?
The InChIKey is MPKGIKVNOYSORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-13(11-6-7-18-10-11)15-8-12-9-17(3)16-14(12)5-2/h9,11,13,15H,4-8,10H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)propan-1-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 1.89, 6 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]-1-(oxolan-3-yl)propan-1-amine is sourced from PubChem (CID 113347464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).