N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride

C13H24ClN3O — CID 126965651

IUPACN-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
SMILESCC(C)Cn1nccc1CNCC1CCCO1.Cl
InChIInChI=1S/C13H23N3O.ClH/c1-11(2)10-16-12(5-6-15-16)8-14-9-13-4-3-7-17-13;/h5-6,11,13-14H,3-4,7-10H2,1-2H3;1H
InChIKeyDNNXIZJIHAVOOB-UHFFFAOYSA-N
MW273.81 g/mol
LogP2.23
Rot. Bonds6

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

N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride (PubChem CID 126965651) has the molecular formula C13H24ClN3O and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
PubChem CID126965651
Molecular FormulaC13H24ClN3O
Molecular Weight273.81 g/mol
Exact Mass273.16
IUPAC NameN-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
SMILESCC(C)Cn1nccc1CNCC1CCCO1.Cl
InChIInChI=1S/C13H23N3O.ClH/c1-11(2)10-16-12(5-6-15-16)8-14-9-13-4-3-7-17-13;/h5-6,11,13-14H,3-4,7-10H2,1-2H3;1H
InChIKeyDNNXIZJIHAVOOB-UHFFFAOYSA-N
XLogP2.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126967597
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43663218
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 122166065
1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine
CID 46784877
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124932035
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
1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
CID 126965807
N',N'-dimethyl-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]propane-1,3-diamine;dihydrochloride
CID 126965686
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 N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
The IUPAC name of N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride (CID 126965651) is N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
The canonical SMILES for N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride is CC(C)Cn1nccc1CNCC1CCCO1.Cl.
What is the InChIKey of N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
The InChIKey is DNNXIZJIHAVOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O.ClH/c1-11(2)10-16-12(5-6-15-16)8-14-9-13-4-3-7-17-13;/h5-6,11,13-14H,3-4,7-10H2,1-2H3;1H.
What are the key properties of N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 126965651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).