[1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine

C11H12BrN3O — CID 115006431

IUPAC[1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine
SMILESCOc1c(CN)cnn1-c1ccccc1Br
InChIInChI=1S/C11H12BrN3O/c1-16-11-8(6-13)7-14-15(11)10-5-3-2-4-9(10)12/h2-5,7H,6,13H2,1H3
InChIKeyTXLITDNROJZMDP-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.10
Rot. Bonds3

About [1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine

[1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine (PubChem CID 115006431) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is [1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine
PubChem CID115006431
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name[1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine
SMILESCOc1c(CN)cnn1-c1ccccc1Br
InChIInChI=1S/C11H12BrN3O/c1-16-11-8(6-13)7-14-15(11)10-5-3-2-4-9(10)12/h2-5,7H,6,13H2,1H3
InChIKeyTXLITDNROJZMDP-UHFFFAOYSA-N
XLogP2.10
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol
CID 77174643
[5-methoxy-1-(2-methylphenyl)pyrazol-4-yl]methanol
CID 115069055
2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
CID 117123584
[1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanol
CID 115069057
4-(3-aminopropyl)-1-(2-bromophenyl)pyrazol-5-amine
CID 115069448
(5-methoxy-1-methylpyrazol-4-yl)methanamine
CID 82594286
2-[5-methoxy-1-(2-methylphenyl)pyrazol-4-yl]acetic acid
CID 115069088
[1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440981
[1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440778
[5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051853
[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051851
(1-tert-butyl-5-methoxypyrazol-4-yl)methanamine
CID 115069152

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine?
The IUPAC name of [1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine (CID 115006431) is [1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine?
The canonical SMILES for [1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine is COc1c(CN)cnn1-c1ccccc1Br.
What is the InChIKey of [1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine?
The InChIKey is TXLITDNROJZMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-16-11-8(6-13)7-14-15(11)10-5-3-2-4-9(10)12/h2-5,7H,6,13H2,1H3.
What are the key properties of [1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine?
[1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine has a molecular weight of 282.14 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine is sourced from PubChem (CID 115006431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).