1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride

C13H18ClN3O — CID 126965504

IUPAC1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride
SMILESCOc1cccc(CNCc2ccnn2C)c1.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-16-12(6-7-15-16)10-14-9-11-4-3-5-13(8-11)17-2;/h3-8,14H,9-10H2,1-2H3;1H
InChIKeyRUINNYUGNKUTQK-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.14
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride

1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride (PubChem CID 126965504) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride
PubChem CID126965504
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride
SMILESCOc1cccc(CNCc2ccnn2C)c1.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-16-12(6-7-15-16)10-14-9-11-4-3-5-13(8-11)17-2;/h3-8,14H,9-10H2,1-2H3;1H
InChIKeyRUINNYUGNKUTQK-UHFFFAOYSA-N
XLogP2.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 25248276
N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 55137874
1-[3-(3-methoxypropoxy)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 86867695
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(3-methoxyphenyl)methanamine
CID 122168299
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111249985
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625004
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 38057973
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 19626584
2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride
CID 126966945
2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 104694287
1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884458
1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008036

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride (CID 126965504) is 1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride is COc1cccc(CNCc2ccnn2C)c1.Cl.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride?
The InChIKey is RUINNYUGNKUTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.ClH/c1-16-12(6-7-15-16)10-14-9-11-4-3-5-13(8-11)17-2;/h3-8,14H,9-10H2,1-2H3;1H.
What are the key properties of 1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride?
1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 126965504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).