[3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine

C15H20ClN3O — CID 117123555

IUPAC[3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine
SMILESCOc1c(CN)c(C(C)(C)C)nn1-c1ccccc1Cl
InChIInChI=1S/C15H20ClN3O/c1-15(2,3)13-10(9-17)14(20-4)19(18-13)12-8-6-5-7-11(12)16/h5-8H,9,17H2,1-4H3
InChIKeyJFBYKJMIXSZQIK-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.29
Rot. Bonds3

About [3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine

[3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine (PubChem CID 117123555) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is [3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine
PubChem CID117123555
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name[3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine
SMILESCOc1c(CN)c(C(C)(C)C)nn1-c1ccccc1Cl
InChIInChI=1S/C15H20ClN3O/c1-15(2,3)13-10(9-17)14(20-4)19(18-13)12-8-6-5-7-11(12)16/h5-8H,9,17H2,1-4H3
InChIKeyJFBYKJMIXSZQIK-UHFFFAOYSA-N
XLogP3.29
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol
CID 117123889
3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine
CID 117123617
[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine
CID 117123535
[5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine
CID 117123519
2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol
CID 117124112
[1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanol
CID 115069057
[3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine
CID 105498553
3,5-ditert-butyl-1-(2-chlorophenyl)pyrazole
CID 43531669
2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123596
N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine
CID 117124675
3-tert-butyl-1-(3,4-diethyl-2,5,6-trimethylphenyl)-4-ethyl-5-methoxypyrazole
CID 91180976
5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine
CID 83868863

Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine?
The IUPAC name of [3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine (CID 117123555) is [3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine.
What is the SMILES notation for [3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine?
The canonical SMILES for [3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine is COc1c(CN)c(C(C)(C)C)nn1-c1ccccc1Cl.
What is the InChIKey of [3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine?
The InChIKey is JFBYKJMIXSZQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-15(2,3)13-10(9-17)14(20-4)19(18-13)12-8-6-5-7-11(12)16/h5-8H,9,17H2,1-4H3.
What are the key properties of [3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine?
[3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine has a molecular weight of 293.80 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine is sourced from PubChem (CID 117123555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).