[2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine

C19H23N3O — CID 82072542

IUPAC[2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
SMILESCOc1ccccc1C1CC(CN)=NN1c1cccc(C)c1C
InChIInChI=1S/C19H23N3O/c1-13-7-6-9-17(14(13)2)22-18(11-15(12-20)21-22)16-8-4-5-10-19(16)23-3/h4-10,18H,11-12,20H2,1-3H3
InChIKeyPQRXXIWZZPLOGJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.58
Rot. Bonds4

About [2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine

[2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine (PubChem CID 82072542) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
PubChem CID82072542
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
SMILESCOc1ccccc1C1CC(CN)=NN1c1cccc(C)c1C
InChIInChI=1S/C19H23N3O/c1-13-7-6-9-17(14(13)2)22-18(11-15(12-20)21-22)16-8-4-5-10-19(16)23-3/h4-10,18H,11-12,20H2,1-3H3
InChIKeyPQRXXIWZZPLOGJ-UHFFFAOYSA-N
XLogP3.58
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The IUPAC name of [2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine (CID 82072542) is [2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The canonical SMILES for [2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine is COc1ccccc1C1CC(CN)=NN1c1cccc(C)c1C.
What is the InChIKey of [2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The InChIKey is PQRXXIWZZPLOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13-7-6-9-17(14(13)2)22-18(11-15(12-20)21-22)16-8-4-5-10-19(16)23-3/h4-10,18H,11-12,20H2,1-3H3.
What are the key properties of [2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine?
[2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine has a molecular weight of 309.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine is sourced from PubChem (CID 82072542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).