2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine

C16H23N3 — CID 82300177

IUPAC2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine
SMILESCc1ccc(C)c(-n2ncc(CCN)c2C(C)C)c1
InChIInChI=1S/C16H23N3/c1-11(2)16-14(7-8-17)10-18-19(16)15-9-12(3)5-6-13(15)4/h5-6,9-11H,7-8,17H2,1-4H3
InChIKeyREHDKXMNZYMDDM-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.11
Rot. Bonds4

About 2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine

2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine (PubChem CID 82300177) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine
PubChem CID82300177
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine
SMILESCc1ccc(C)c(-n2ncc(CCN)c2C(C)C)c1
InChIInChI=1S/C16H23N3/c1-11(2)16-14(7-8-17)10-18-19(16)15-9-12(3)5-6-13(15)4/h5-6,9-11H,7-8,17H2,1-4H3
InChIKeyREHDKXMNZYMDDM-UHFFFAOYSA-N
XLogP3.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-propan-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine
CID 95474666
2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine
CID 95481921
1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine
CID 79500843
5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine
CID 66441226
[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66441076
[1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 82293937
N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66442086
2-[1-(4-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82297303
N-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-1-amine
CID 82528542
3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine
CID 62718594
[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440251
N-[[1-(2,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66442705

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine (CID 82300177) is 2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine is Cc1ccc(C)c(-n2ncc(CCN)c2C(C)C)c1.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine?
The InChIKey is REHDKXMNZYMDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)16-14(7-8-17)10-18-19(16)15-9-12(3)5-6-13(15)4/h5-6,9-11H,7-8,17H2,1-4H3.
What are the key properties of 2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine?
2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 82300177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).