[1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine

C19H21N3O2 — CID 82072343

IUPAC[1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)nn2Cc2ccccc2)cc1OC
InChIInChI=1S/C19H21N3O2/c1-23-18-9-8-15(10-19(18)24-2)17-11-16(12-20)21-22(17)13-14-6-4-3-5-7-14/h3-11H,12-13,20H2,1-2H3
InChIKeyFYQBZGNKXRDBMT-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.07
Rot. Bonds6

About [1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine

[1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine (PubChem CID 82072343) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine
PubChem CID82072343
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)nn2Cc2ccccc2)cc1OC
InChIInChI=1S/C19H21N3O2/c1-23-18-9-8-15(10-19(18)24-2)17-11-16(12-20)21-22(17)13-14-6-4-3-5-7-14/h3-11H,12-13,20H2,1-2H3
InChIKeyFYQBZGNKXRDBMT-UHFFFAOYSA-N
XLogP3.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82072444
[5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072345
1-benzyl-2-(3,4-dimethoxyphenyl)-4-phenylpyrrole
CID 146163521
2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine
CID 82072030
2-benzyl-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydrophthalazin-1-one
CID 11003326
1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole
CID 11314519
[5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82484172
[5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82072386
5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole
CID 21106824
ethyl 1-benzyl-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole-3-carboxylate
CID 21106863
3,5-bis(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-4-methylpyrazole
CID 19587323
2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one
CID 76683951

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine?
The IUPAC name of [1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine (CID 82072343) is [1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine is COc1ccc(-c2cc(CN)nn2Cc2ccccc2)cc1OC.
What is the InChIKey of [1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine?
The InChIKey is FYQBZGNKXRDBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-23-18-9-8-15(10-19(18)24-2)17-11-16(12-20)21-22(17)13-14-6-4-3-5-7-14/h3-11H,12-13,20H2,1-2H3.
What are the key properties of [1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine?
[1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine has a molecular weight of 323.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 82072343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).