1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride

C12H22ClN3O — CID 126967597

IUPAC1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
SMILESCC(C)n1nccc1CNCC1CCCO1.Cl
InChIInChI=1S/C12H21N3O.ClH/c1-10(2)15-11(5-6-14-15)8-13-9-12-4-3-7-16-12;/h5-6,10,12-13H,3-4,7-9H2,1-2H3;1H
InChIKeyYYLFENHHNOPERI-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.15
Rot. Bonds5

About 1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride

1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride (PubChem CID 126967597) has the molecular formula C12H22ClN3O and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
PubChem CID126967597
Molecular FormulaC12H22ClN3O
Molecular Weight259.78 g/mol
Exact Mass259.15
IUPAC Name1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
SMILESCC(C)n1nccc1CNCC1CCCO1.Cl
InChIInChI=1S/C12H21N3O.ClH/c1-10(2)15-11(5-6-14-15)8-13-9-12-4-3-7-16-12;/h5-6,10,12-13H,3-4,7-9H2,1-2H3;1H
InChIKeyYYLFENHHNOPERI-UHFFFAOYSA-N
XLogP2.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 122166065
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 126965651
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43663218
1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine
CID 46784877
N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 4269997
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 100792161
1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride
CID 6462943
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124932035
N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 3156818
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
N-[(1-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42281898
N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 122166158

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride (CID 126967597) is 1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride is CC(C)n1nccc1CNCC1CCCO1.Cl.
What is the InChIKey of 1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride?
The InChIKey is YYLFENHHNOPERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O.ClH/c1-10(2)15-11(5-6-14-15)8-13-9-12-4-3-7-16-12;/h5-6,10,12-13H,3-4,7-9H2,1-2H3;1H.
What are the key properties of 1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride?
1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 126967597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).