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

C15H21N3O — CID 84760285

IUPAC[3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine
SMILESCCCOc1ccccc1-n1nc(C)c(CN)c1C
InChIInChI=1S/C15H21N3O/c1-4-9-19-15-8-6-5-7-14(15)18-12(3)13(10-16)11(2)17-18/h5-8H,4,9-10,16H2,1-3H3
InChIKeyBYTLNKVUKRVUEF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.74
Rot. Bonds5

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

[3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine (PubChem CID 84760285) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine
PubChem CID84760285
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine
SMILESCCCOc1ccccc1-n1nc(C)c(CN)c1C
InChIInChI=1S/C15H21N3O/c1-4-9-19-15-8-6-5-7-14(15)18-12(3)13(10-16)11(2)17-18/h5-8H,4,9-10,16H2,1-3H3
InChIKeyBYTLNKVUKRVUEF-UHFFFAOYSA-N
XLogP2.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760268
[5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine
CID 82199485
[3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine
CID 82085269
[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760277
[1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 94939085
5-ethyl-1-(2-propoxyphenyl)tetrazole
CID 23118004
[1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine
CID 82527967
2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123596
(2-methoxy-6-propoxyphenyl)methanamine
CID 118156685
1-(2-propoxyphenyl)pyrazole
CID 91373275
5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
CID 82200987
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 61238668

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of [3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine (CID 84760285) is [3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine is CCCOc1ccccc1-n1nc(C)c(CN)c1C.
What is the InChIKey of [3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine?
The InChIKey is BYTLNKVUKRVUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-9-19-15-8-6-5-7-14(15)18-12(3)13(10-16)11(2)17-18/h5-8H,4,9-10,16H2,1-3H3.
What are the key properties of [3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine?
[3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 84760285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).