N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine

C12H21N3O — CID 115723445

IUPACN-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NC(C)C1CCOC1)c1cnn(C)c1
InChIInChI=1S/C12H21N3O/c1-9(11-4-5-16-8-11)14-10(2)12-6-13-15(3)7-12/h6-7,9-11,14H,4-5,8H2,1-3H3
InChIKeyFBKLYKQAGMCQDO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.50
Rot. Bonds4

About N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine

N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 115723445) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine
PubChem CID115723445
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NC(C)C1CCOC1)c1cnn(C)c1
InChIInChI=1S/C12H21N3O/c1-9(11-4-5-16-8-11)14-10(2)12-6-13-15(3)7-12/h6-7,9-11,14H,4-5,8H2,1-3H3
InChIKeyFBKLYKQAGMCQDO-UHFFFAOYSA-N
XLogP1.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 103786000
(1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol
CID 61279320
N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115718211
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 103786183
N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline
CID 115723946
3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
CID 99629144
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 113483469
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115713183
N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115704048
1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 115714685

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine (CID 115723445) is N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine is CC(NC(C)C1CCOC1)c1cnn(C)c1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is FBKLYKQAGMCQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(11-4-5-16-8-11)14-10(2)12-6-13-15(3)7-12/h6-7,9-11,14H,4-5,8H2,1-3H3.
What are the key properties of N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine?
N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115723445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).