3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol

C15H21N3O2 — CID 117123889

IUPAC3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol
SMILESCOc1c(CN)c(C(C)(C)C)nn1-c1cccc(O)c1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)13-12(9-16)14(20-4)18(17-13)10-6-5-7-11(19)8-10/h5-8,19H,9,16H2,1-4H3
InChIKeyWCGKHKPLTXOKPC-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.34
Rot. Bonds3

About 3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol

3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol (PubChem CID 117123889) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol.

Molecular Properties

Compound Name3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol
PubChem CID117123889
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol
SMILESCOc1c(CN)c(C(C)(C)C)nn1-c1cccc(O)c1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)13-12(9-16)14(20-4)18(17-13)10-6-5-7-11(19)8-10/h5-8,19H,9,16H2,1-4H3
InChIKeyWCGKHKPLTXOKPC-UHFFFAOYSA-N
XLogP2.34
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine
CID 117123555
[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine
CID 117123859
3-tert-butyl-1-(3-fluorophenyl)-5-methoxypyrazole-4-carboxylic acid
CID 117123975
2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol
CID 117124112
3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol
CID 83864512
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123912
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid
CID 117124014
2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine
CID 116818988
[1-(4-bromophenyl)-3-ethyl-5-methoxypyrazol-4-yl]methanamine
CID 117124164
2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
CID 117123475
2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine
CID 117123906
[3-tert-butyl-1-(3-chloro-4-methoxyphenyl)-4-(2,2,2-trichloroethyl)pyrazol-5-yl] carbamate
CID 118906072

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol?
The IUPAC name of 3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol (CID 117123889) is 3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol.
What is the SMILES notation for 3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol?
The canonical SMILES for 3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol is COc1c(CN)c(C(C)(C)C)nn1-c1cccc(O)c1.
What is the InChIKey of 3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol?
The InChIKey is WCGKHKPLTXOKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)13-12(9-16)14(20-4)18(17-13)10-6-5-7-11(19)8-10/h5-8,19H,9,16H2,1-4H3.
What are the key properties of 3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol?
3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol has a molecular weight of 275.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol is sourced from PubChem (CID 117123889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).