N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride

C12H18ClN3O — CID 126967579

IUPACN-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
SMILESCC(C)n1nccc1CNCc1ccco1.Cl
InChIInChI=1S/C12H17N3O.ClH/c1-10(2)15-11(5-6-14-15)8-13-9-12-4-3-7-16-12;/h3-7,10,13H,8-9H2,1-2H3;1H
InChIKeyMBXWQJQAEPFBHK-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.77
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride

N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride (PubChem CID 126967579) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
PubChem CID126967579
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
SMILESCC(C)n1nccc1CNCc1ccco1.Cl
InChIInChI=1S/C12H17N3O.ClH/c1-10(2)15-11(5-6-14-15)8-13-9-12-4-3-7-16-12;/h3-7,10,13H,8-9H2,1-2H3;1H
InChIKeyMBXWQJQAEPFBHK-UHFFFAOYSA-N
XLogP2.77
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)methanamine
CID 19626581
1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126965180
1-(1-methylpyrrol-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965371
N-[(2-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine;hydrochloride
CID 126967489
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126968269
2-(2-propan-2-ylpyrazol-3-yl)acetaldehyde
CID 83872578
N-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine
CID 122167059
N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride
CID 115595868
1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126967597
3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride
CID 126967833
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 56773667

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride?
The IUPAC name of N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride (CID 126967579) is N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride is CC(C)n1nccc1CNCc1ccco1.Cl.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride?
The InChIKey is MBXWQJQAEPFBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.ClH/c1-10(2)15-11(5-6-14-15)8-13-9-12-4-3-7-16-12;/h3-7,10,13H,8-9H2,1-2H3;1H.
What are the key properties of N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride?
N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 126967579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).