2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine

C16H22ClN3 — CID 83986380

IUPAC2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine
SMILESCn1nc(C(C)(C)C)cc1C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3/c1-16(2,3)15-9-14(20(4)19-15)13(10-18)11-5-7-12(17)8-6-11/h5-9,13H,10,18H2,1-4H3
InChIKeySUBJWUNYTIBACJ-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.46
Rot. Bonds3

About 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine

2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine (PubChem CID 83986380) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine
PubChem CID83986380
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine
SMILESCn1nc(C(C)(C)C)cc1C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3/c1-16(2,3)15-9-14(20(4)19-15)13(10-18)11-5-7-12(17)8-6-11/h5-9,13H,10,18H2,1-4H3
InChIKeySUBJWUNYTIBACJ-UHFFFAOYSA-N
XLogP3.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83986514
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine
CID 83987721
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenyl)ethanamine
CID 83986713
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 83986828
2,2-bis(4-chlorophenyl)ethanamine
CID 13110442
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine
CID 83987069
4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol
CID 83987249
2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
CID 83986338
(3-tert-butyl-1-methylpyrazol-5-yl)methanamine
CID 66644048
2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 83834642
5-bromo-3-tert-butyl-1-methylpyrazole
CID 77231419
N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119384846

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine (CID 83986380) is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine is Cn1nc(C(C)(C)C)cc1C(CN)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine?
The InChIKey is SUBJWUNYTIBACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-16(2,3)15-9-14(20(4)19-15)13(10-18)11-5-7-12(17)8-6-11/h5-9,13H,10,18H2,1-4H3.
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine?
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine has a molecular weight of 291.83 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 83986380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).