4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine

C10H16BrN3O — CID 63741638

IUPAC4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine
SMILESCc1nn(CC2CCCOC2)c(N)c1Br
InChIInChI=1S/C10H16BrN3O/c1-7-9(11)10(12)14(13-7)5-8-3-2-4-15-6-8/h8H,2-6,12H2,1H3
InChIKeyLXRXPLNHOQSDTJ-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.96
Rot. Bonds2

About 4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine

4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine (PubChem CID 63741638) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine
PubChem CID63741638
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine
SMILESCc1nn(CC2CCCOC2)c(N)c1Br
InChIInChI=1S/C10H16BrN3O/c1-7-9(11)10(12)14(13-7)5-8-3-2-4-15-6-8/h8H,2-6,12H2,1H3
InChIKeyLXRXPLNHOQSDTJ-UHFFFAOYSA-N
XLogP1.96
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine
CID 62071409
5-amino-3-methyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbonitrile
CID 75380519
5-methyl-1-(oxan-3-ylmethyl)tetrazole
CID 54156265
4-bromo-1-(oxan-3-ylmethyl)pyrazol-3-amine
CID 165473968
4-bromo-5-methyl-2-(oxolan-3-ylmethyl)triazole
CID 123139283
4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-amine
CID 62387049
5-bromo-4-methyl-1-(oxolan-3-ylmethyl)triazole
CID 123205395
4-nitro-1-(oxan-3-ylmethyl)pyrazol-5-amine
CID 63741815
5-bromo-1-(oxan-3-ylmethyl)pyrazol-4-ol
CID 117232366
3-methyl-1-(oxan-3-ylmethyl)pyrazole
CID 130610539
3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde
CID 62726703
3-ethyl-1-(oxan-3-ylmethyl)-5-(trifluoromethyl)pyrazole
CID 157042333

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine?
The IUPAC name of 4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine (CID 63741638) is 4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine is Cc1nn(CC2CCCOC2)c(N)c1Br.
What is the InChIKey of 4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine?
The InChIKey is LXRXPLNHOQSDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-7-9(11)10(12)14(13-7)5-8-3-2-4-15-6-8/h8H,2-6,12H2,1H3.
What are the key properties of 4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine?
4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine has a molecular weight of 274.16 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 63741638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).