1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride

C13H20ClN3O — CID 126965180

IUPAC1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCc1c(CNCc2ccco2)cnn1C(C)C.Cl
InChIInChI=1S/C13H19N3O.ClH/c1-10(2)16-11(3)12(8-15-16)7-14-9-13-5-4-6-17-13;/h4-6,8,10,14H,7,9H2,1-3H3;1H
InChIKeyZIYZOTZVSQZHAZ-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.08
Rot. Bonds5

About 1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride

1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride (PubChem CID 126965180) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride
PubChem CID126965180
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCc1c(CNCc2ccco2)cnn1C(C)C.Cl
InChIInChI=1S/C13H19N3O.ClH/c1-10(2)16-11(3)12(8-15-16)7-14-9-13-5-4-6-17-13;/h4-6,8,10,14H,7,9H2,1-3H3;1H
InChIKeyZIYZOTZVSQZHAZ-UHFFFAOYSA-N
XLogP3.08
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126967579
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 122167328
3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 122166110
N-(furan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)methanamine
CID 19626581
N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81327593
1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride
CID 6462424
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79579138
N-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81110948
1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine
CID 60984036
2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 114274283
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105183823

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride (CID 126965180) is 1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride is Cc1c(CNCc2ccco2)cnn1C(C)C.Cl.
What is the InChIKey of 1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The InChIKey is ZIYZOTZVSQZHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.ClH/c1-10(2)16-11(3)12(8-15-16)7-14-9-13-5-4-6-17-13;/h4-6,8,10,14H,7,9H2,1-3H3;1H.
What are the key properties of 1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride?
1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride has a molecular weight of 269.78 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 126965180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).