3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine

C14H16BrN3O — CID 151356653

IUPAC3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)cc2)nn1C1CCOCC1
InChIInChI=1S/C14H16BrN3O/c15-11-3-1-10(2-4-11)13-9-14(16)18(17-13)12-5-7-19-8-6-12/h1-4,9,12H,5-8,16H2
InChIKeyONPNCKVYFMIVNC-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.25
Rot. Bonds2

About 3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine

3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine (PubChem CID 151356653) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine
PubChem CID151356653
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)cc2)nn1C1CCOCC1
InChIInChI=1S/C14H16BrN3O/c15-11-3-1-10(2-4-11)13-9-14(16)18(17-13)12-5-7-19-8-6-12/h1-4,9,12H,5-8,16H2
InChIKeyONPNCKVYFMIVNC-UHFFFAOYSA-N
XLogP3.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-3-phenylpyrazol-5-amine
CID 56604603
3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazol-5-amine
CID 150906140
5-amino-3-(4-bromophenyl)pyrazole-1-carbothioamide
CID 121216031
5-(4-bromophenyl)-2-[(3R)-oxolan-3-yl]tetrazole
CID 99790878
6-bromo-1-(oxan-4-yl)benzimidazol-2-amine
CID 65346881
1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine
CID 43542754
2-[5-amino-3-(3-bromophenyl)pyrazol-1-yl]cycloheptan-1-ol
CID 62713218
3-(4-bromophenyl)-1-(2-fluoroethyl)pyrazol-5-amine;1,1-difluorocyclopropane
CID 175321442
4-bromo-1-(oxan-4-yl)pyrazol-3-amine
CID 63938031
1-(1,1-dioxothiolan-3-yl)-3-(oxan-4-yl)pyrazol-5-amine
CID 62906041
3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-5-amine
CID 43436012
5-[5-amino-1-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-1H-pyridin-2-one
CID 136710584

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine?
The IUPAC name of 3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine (CID 151356653) is 3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine.
What is the SMILES notation for 3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine?
The canonical SMILES for 3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine is Nc1cc(-c2ccc(Br)cc2)nn1C1CCOCC1.
What is the InChIKey of 3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine?
The InChIKey is ONPNCKVYFMIVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-11-3-1-10(2-4-11)13-9-14(16)18(17-13)12-5-7-19-8-6-12/h1-4,9,12H,5-8,16H2.
What are the key properties of 3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine?
3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine has a molecular weight of 322.21 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine is sourced from PubChem (CID 151356653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).