[5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine

C19H21N3O2 — CID 82072345

IUPAC[5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)nn2-c2ccccc2C)cc1OC
InChIInChI=1S/C19H21N3O2/c1-13-6-4-5-7-16(13)22-17(11-15(12-20)21-22)14-8-9-18(23-2)19(10-14)24-3/h4-11H,12,20H2,1-3H3
InChIKeyBBXJIFORQRZTEE-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.32
Rot. Bonds5

About [5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine

[5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine (PubChem CID 82072345) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
PubChem CID82072345
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)nn2-c2ccccc2C)cc1OC
InChIInChI=1S/C19H21N3O2/c1-13-6-4-5-7-16(13)22-17(11-15(12-20)21-22)14-8-9-18(23-2)19(10-14)24-3/h4-11H,12,20H2,1-3H3
InChIKeyBBXJIFORQRZTEE-UHFFFAOYSA-N
XLogP3.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072215
[1-(2-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071949
[1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine
CID 82072343
[1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82072567
3-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3589046
5-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)triazol-4-amine
CID 82370481
[1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
CID 82072619
1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole
CID 11269373
[1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072108
[5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82072386
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
[5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82484172

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine (CID 82072345) is [5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine is COc1ccc(-c2cc(CN)nn2-c2ccccc2C)cc1OC.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine?
The InChIKey is BBXJIFORQRZTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-6-4-5-7-16(13)22-17(11-15(12-20)21-22)14-8-9-18(23-2)19(10-14)24-3/h4-11H,12,20H2,1-3H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine?
[5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine has a molecular weight of 323.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 82072345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).