N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine

C10H13BrN4O — CID 106417609

IUPACN-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
SMILESCc1nn(C)c(CNCc2ccno2)c1Br
InChIInChI=1S/C10H13BrN4O/c1-7-10(11)9(15(2)14-7)6-12-5-8-3-4-13-16-8/h3-4,12H,5-6H2,1-2H3
InChIKeyMJQQVRKWRYAHIO-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.77
Rot. Bonds4

About N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine

N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine (PubChem CID 106417609) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
PubChem CID106417609
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC NameN-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
SMILESCc1nn(C)c(CNCc2ccno2)c1Br
InChIInChI=1S/C10H13BrN4O/c1-7-10(11)9(15(2)14-7)6-12-5-8-3-4-13-16-8/h3-4,12H,5-6H2,1-2H3
InChIKeyMJQQVRKWRYAHIO-UHFFFAOYSA-N
XLogP1.77
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 56780219
(5-isoxazolylmethyl)methyl(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)amine
CID 56906885
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 53553055
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 61863646
N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazol-3-yl]methanamine
CID 62441948
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 70458408
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N'-(1-methylpyrazol-4-yl)propane-1,3-diamine
CID 70458903
[5-(Pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanamine
CID 20099039
N-methyl-1-[5-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanamine
CID 20099047
[3,5-Dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methanamine
CID 43647567
1-[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]-N-methylmethanamine
CID 43647700
N-[[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methyl]ethanamine
CID 43647813

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine (CID 106417609) is N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine is Cc1nn(C)c(CNCc2ccno2)c1Br.
What is the InChIKey of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The InChIKey is MJQQVRKWRYAHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c1-7-10(11)9(15(2)14-7)6-12-5-8-3-4-13-16-8/h3-4,12H,5-6H2,1-2H3.
What are the key properties of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine has a molecular weight of 285.14 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 106417609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).