1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine

C14H25N3O — CID 114105058

IUPAC1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
SMILESCCCn1cc(CNCC2CCOC2CC)cn1
InChIInChI=1S/C14H25N3O/c1-3-6-17-11-12(9-16-17)8-15-10-13-5-7-18-14(13)4-2/h9,11,13-15H,3-8,10H2,1-2H3
InChIKeyROIPTZGEWVEKJH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.20
Rot. Bonds7

About 1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine

1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine (PubChem CID 114105058) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
PubChem CID114105058
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
SMILESCCCn1cc(CNCC2CCOC2CC)cn1
InChIInChI=1S/C14H25N3O/c1-3-6-17-11-12(9-16-17)8-15-10-13-5-7-18-14(13)4-2/h9,11,13-15H,3-8,10H2,1-2H3
InChIKeyROIPTZGEWVEKJH-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97060263
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929279
N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine
CID 115632215
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine
CID 81018130
N-[(1-ethylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 62126341
1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 114104938
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine
CID 114104981
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 103673638
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63243485
1-(2-methylpyrazol-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674015

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine (CID 114105058) is 1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine is CCCn1cc(CNCC2CCOC2CC)cn1.
What is the InChIKey of 1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine?
The InChIKey is ROIPTZGEWVEKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-6-17-11-12(9-16-17)8-15-10-13-5-7-18-14(13)4-2/h9,11,13-15H,3-8,10H2,1-2H3.
What are the key properties of 1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine?
1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 114105058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).