1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine

C14H25N3O — CID 62440987

IUPAC1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine
SMILESCCc1c(C)nn(CC2CCC(CNC)O2)c1C
InChIInChI=1S/C14H25N3O/c1-5-14-10(2)16-17(11(14)3)9-13-7-6-12(18-13)8-15-4/h12-13,15H,5-9H2,1-4H3
InChIKeyQVADDFAUKNSHLV-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.83
Rot. Bonds5

About 1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine

1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine (PubChem CID 62440987) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine
PubChem CID62440987
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine
SMILESCCc1c(C)nn(CC2CCC(CNC)O2)c1C
InChIInChI=1S/C14H25N3O/c1-5-14-10(2)16-17(11(14)3)9-13-7-6-12(18-13)8-15-4/h12-13,15H,5-9H2,1-4H3
InChIKeyQVADDFAUKNSHLV-UHFFFAOYSA-N
XLogP1.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-3,5-dimethyl-1-(oxiran-2-ylmethyl)pyrazole
CID 61236679
N-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
CID 55073024
2-[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-ethylethanamine
CID 103140559
N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 103136272
N-[2-[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 103140561
2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62443116
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclobutyl]-N-methylmethanamine
CID 81004997
2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile
CID 63906467
N-methyl-1-[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methanamine
CID 62437708
methyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate
CID 63919117
2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide
CID 63919904
2-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-N-methylcyclopentan-1-amine
CID 79572278

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine (CID 62440987) is 1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine is CCc1c(C)nn(CC2CCC(CNC)O2)c1C.
What is the InChIKey of 1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine?
The InChIKey is QVADDFAUKNSHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-14-10(2)16-17(11(14)3)9-13-7-6-12(18-13)8-15-4/h12-13,15H,5-9H2,1-4H3.
What are the key properties of 1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine?
1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine has a molecular weight of 251.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62440987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).