3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride

C15H22ClN3 — CID 68538663

IUPAC3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride
SMILESCCc1ccc(-n2nc(C(C)(C)C)cc2N)cc1.Cl
InChIInChI=1S/C15H21N3.ClH/c1-5-11-6-8-12(9-7-11)18-14(16)10-13(17-18)15(2,3)4;/h6-10H,5,16H2,1-4H3;1H
InChIKeyZNAHKTCZNISIAZ-UHFFFAOYSA-N
MW279.82 g/mol
LogP3.74
Rot. Bonds2

About 3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride

3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride (PubChem CID 68538663) has the molecular formula C15H22ClN3 and a molecular weight of 279.82 g/mol. Its IUPAC name is 3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride
PubChem CID68538663
Molecular FormulaC15H22ClN3
Molecular Weight279.82 g/mol
Exact Mass279.15
IUPAC Name3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride
SMILESCCc1ccc(-n2nc(C(C)(C)C)cc2N)cc1.Cl
InChIInChI=1S/C15H21N3.ClH/c1-5-11-6-8-12(9-7-11)18-14(16)10-13(17-18)15(2,3)4;/h6-10H,5,16H2,1-4H3;1H
InChIKeyZNAHKTCZNISIAZ-UHFFFAOYSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.82
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine
CID 67021582
3-tert-butyl-1-[3-(4-ethylphenoxy)phenyl]pyrazol-5-amine
CID 11616976
[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]methanesulfinate
CID 174608664
3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine
CID 58532546
3-tert-butyl-1-phenylpyrazol-5-amine;ethane
CID 143140261
5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 82115800
5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol
CID 22972803
3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine
CID 58011098
2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine
CID 2411008
3-tert-butyl-1-[3-[(methylideneamino)methyl]phenyl]pyrazol-5-amine
CID 148697768
3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine
CID 59151784
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-4-ethylbenzamide
CID 42732616

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride?
The IUPAC name of 3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride (CID 68538663) is 3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride.
What is the SMILES notation for 3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride?
The canonical SMILES for 3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride is CCc1ccc(-n2nc(C(C)(C)C)cc2N)cc1.Cl.
What is the InChIKey of 3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride?
The InChIKey is ZNAHKTCZNISIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3.ClH/c1-5-11-6-8-12(9-7-11)18-14(16)10-13(17-18)15(2,3)4;/h6-10H,5,16H2,1-4H3;1H.
What are the key properties of 3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride?
3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride has a molecular weight of 279.82 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride is sourced from PubChem (CID 68538663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).