2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine

C15H21N3 — CID 115045090

IUPAC2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine
SMILESCC(C)(C)c1cnn(-c2ccccc2)c1CCN
InChIInChI=1S/C15H21N3/c1-15(2,3)13-11-17-18(14(13)9-10-16)12-7-5-4-6-8-12/h4-8,11H,9-10,16H2,1-3H3
InChIKeyNQDQPOYWCLCVNU-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.67
Rot. Bonds3

About 2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine

2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine (PubChem CID 115045090) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine
PubChem CID115045090
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine
SMILESCC(C)(C)c1cnn(-c2ccccc2)c1CCN
InChIInChI=1S/C15H21N3/c1-15(2,3)13-11-17-18(14(13)9-10-16)12-7-5-4-6-8-12/h4-8,11H,9-10,16H2,1-3H3
InChIKeyNQDQPOYWCLCVNU-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine
CID 115047522
2-(3-phenyltriazol-4-yl)ethanamine
CID 82200310
2-(2-phenyl-1,2,4-triazol-3-yl)ethanamine
CID 84661566
N-tert-butyl-5-(chloromethyl)-1-phenylpyrazole-4-carboxamide
CID 139497527
1-amino-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107329988
2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine
CID 83898604
4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole
CID 59743779
5-(2,2-dimethylpropyl)-1-phenylpyrazole
CID 58161963
[4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine
CID 115049131
N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine
CID 66440844
(5-tert-butyl-1-phenyltriazol-4-yl)methanamine
CID 82200264
(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine
CID 13409751

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine (CID 115045090) is 2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine is CC(C)(C)c1cnn(-c2ccccc2)c1CCN.
What is the InChIKey of 2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine?
The InChIKey is NQDQPOYWCLCVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2,3)13-11-17-18(14(13)9-10-16)12-7-5-4-6-8-12/h4-8,11H,9-10,16H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine?
2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 115045090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).