[3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine

C16H20BrN3O — CID 64800020

IUPAC[3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2ccn(C3CCCC3)n2)c(Br)c1
InChIInChI=1S/C16H20BrN3O/c17-15-9-12(10-18)5-6-16(15)21-11-13-7-8-20(19-13)14-3-1-2-4-14/h5-9,14H,1-4,10-11,18H2
InChIKeyHIODVSVHNGZQSS-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.80
Rot. Bonds5

About [3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine

[3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine (PubChem CID 64800020) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is [3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine
PubChem CID64800020
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name[3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2ccn(C3CCCC3)n2)c(Br)c1
InChIInChI=1S/C16H20BrN3O/c17-15-9-12(10-18)5-6-16(15)21-11-13-7-8-20(19-13)14-3-1-2-4-14/h5-9,14H,1-4,10-11,18H2
InChIKeyHIODVSVHNGZQSS-UHFFFAOYSA-N
XLogP3.80
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64801737
3-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-1-cyclopentylpyrazole
CID 64785349
3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole
CID 64801690
[2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine
CID 64800598
5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile
CID 80962290
[3-bromo-4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64800018
3-bromo-5-[(1-cyclopentylpyrazol-3-yl)methoxy]aniline
CID 103588284
3-bromo-5-chloro-2-[(1-cyclopentylpyrazol-3-yl)methoxy]aniline
CID 64799239
[2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanol
CID 64785535
[3-bromo-4-(cyclohexylmethoxy)phenyl]methanamine
CID 63046526
3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole
CID 64784762
1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 64801364

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine (CID 64800020) is [3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine is NCc1ccc(OCc2ccn(C3CCCC3)n2)c(Br)c1.
What is the InChIKey of [3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine?
The InChIKey is HIODVSVHNGZQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c17-15-9-12(10-18)5-6-16(15)21-11-13-7-8-20(19-13)14-3-1-2-4-14/h5-9,14H,1-4,10-11,18H2.
What are the key properties of [3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine?
[3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine has a molecular weight of 350.26 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 64800020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).