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

C15H21N3 — CID 82085269

IUPAC[3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine
SMILESCc1nn(-c2ccccc2C(C)C)c(C)c1CN
InChIInChI=1S/C15H21N3/c1-10(2)13-7-5-6-8-15(13)18-12(4)14(9-16)11(3)17-18/h5-8,10H,9,16H2,1-4H3
InChIKeyLCGFGCGYJGAMFP-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.07
Rot. Bonds3

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

[3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine (PubChem CID 82085269) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine
PubChem CID82085269
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name[3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine
SMILESCc1nn(-c2ccccc2C(C)C)c(C)c1CN
InChIInChI=1S/C15H21N3/c1-10(2)13-7-5-6-8-15(13)18-12(4)14(9-16)11(3)17-18/h5-8,10H,9,16H2,1-4H3
InChIKeyLCGFGCGYJGAMFP-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82091044
[1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760268
3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82089552
[3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine
CID 84760285
N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61238667
4,5-dimethyl-1-(2-propan-2-ylphenyl)triazole
CID 58328305
N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine
CID 115995433
(1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol
CID 63372060
3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82078471
3-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79224848
[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760277
2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid
CID 82528610

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of [3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine (CID 82085269) is [3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine is Cc1nn(-c2ccccc2C(C)C)c(C)c1CN.
What is the InChIKey of [3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine?
The InChIKey is LCGFGCGYJGAMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10(2)13-7-5-6-8-15(13)18-12(4)14(9-16)11(3)17-18/h5-8,10H,9,16H2,1-4H3.
What are the key properties of [3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine?
[3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 82085269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).