[1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine

C21H25N3 — CID 82072619

IUPAC[1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
SMILESCc1cccc(-n2nc(CN)cc2-c2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C21H25N3/c1-14(2)17-8-10-18(11-9-17)21-12-19(13-22)23-24(21)20-7-5-6-15(3)16(20)4/h5-12,14H,13,22H2,1-4H3
InChIKeyVIVRTOGSJJIXEQ-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.74
Rot. Bonds4

About [1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine

[1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine (PubChem CID 82072619) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is [1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
PubChem CID82072619
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name[1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
SMILESCc1cccc(-n2nc(CN)cc2-c2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C21H25N3/c1-14(2)17-8-10-18(11-9-17)21-12-19(13-22)23-24(21)20-7-5-6-15(3)16(20)4/h5-12,14H,13,22H2,1-4H3
InChIKeyVIVRTOGSJJIXEQ-UHFFFAOYSA-N
XLogP4.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072215
[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
CID 82072614
[1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072108
[5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072345
[1-(2,3-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 82478674
[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine
CID 82083524
[1-(2-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071949
2-[5-cyclopropyl-1-(2,3-dimethylphenyl)pyrazol-3-yl]ethanamine
CID 82088797
[5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82478236
[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol
CID 82049017
5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole
CID 11731192
[5-(3,4-difluorophenyl)-1-(2,3-dimethylphenyl)triazol-4-yl]methanamine
CID 94936044

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine?
The IUPAC name of [1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine (CID 82072619) is [1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine is Cc1cccc(-n2nc(CN)cc2-c2ccc(C(C)C)cc2)c1C.
What is the InChIKey of [1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine?
The InChIKey is VIVRTOGSJJIXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-14(2)17-8-10-18(11-9-17)21-12-19(13-22)23-24(21)20-7-5-6-15(3)16(20)4/h5-12,14H,13,22H2,1-4H3.
What are the key properties of [1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine?
[1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine has a molecular weight of 319.45 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 82072619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).