1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine

C13H23N3O — CID 103700538

IUPAC1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cnn(C(C)C)c1)C1CCOC1
InChIInChI=1S/C13H23N3O/c1-10(2)16-8-12(7-15-16)6-14-11(3)13-4-5-17-9-13/h7-8,10-11,13-14H,4-6,9H2,1-3H3
InChIKeyFMVUITMXGJJENJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.98
Rot. Bonds5

About 1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine

1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine (PubChem CID 103700538) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
PubChem CID103700538
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cnn(C(C)C)c1)C1CCOC1
InChIInChI=1S/C13H23N3O/c1-10(2)16-8-12(7-15-16)6-14-11(3)13-4-5-17-9-13/h7-8,10-11,13-14H,4-6,9H2,1-3H3
InChIKeyFMVUITMXGJJENJ-UHFFFAOYSA-N
XLogP1.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 115622994
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 103660129
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115655111
N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655308
2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 115623017
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115684441
N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 63564015
(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine
CID 97085962
N-[(4-butoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655195
N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655120

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine (CID 103700538) is 1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine is CC(NCc1cnn(C(C)C)c1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is FMVUITMXGJJENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)16-8-12(7-15-16)6-14-11(3)13-4-5-17-9-13/h7-8,10-11,13-14H,4-6,9H2,1-3H3.
What are the key properties of 1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 103700538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).