3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one

C15H19BrN4O — CID 103962037

IUPAC3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
SMILESNc1cn(Cc2ccn(C3CCCCC3)n2)cc(Br)c1=O
InChIInChI=1S/C15H19BrN4O/c16-13-9-19(10-14(17)15(13)21)8-11-6-7-20(18-11)12-4-2-1-3-5-12/h6-7,9-10,12H,1-5,8,17H2
InChIKeyPSSRDBGYHANBNN-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.94
Rot. Bonds3

About 3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one

3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one (PubChem CID 103962037) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
PubChem CID103962037
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
SMILESNc1cn(Cc2ccn(C3CCCCC3)n2)cc(Br)c1=O
InChIInChI=1S/C15H19BrN4O/c16-13-9-19(10-14(17)15(13)21)8-11-6-7-20(18-11)12-4-2-1-3-5-12/h6-7,9-10,12H,1-5,8,17H2
InChIKeyPSSRDBGYHANBNN-UHFFFAOYSA-N
XLogP2.94
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240
5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 64799958
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde
CID 66407704
3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole
CID 64777851
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66062253
5-bromo-6-chloro-3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 114583419
1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
CID 116622567
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol
CID 79106230
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
CID 75382047

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one (CID 103962037) is 3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one is Nc1cn(Cc2ccn(C3CCCCC3)n2)cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one?
The InChIKey is PSSRDBGYHANBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c16-13-9-19(10-14(17)15(13)21)8-11-6-7-20(18-11)12-4-2-1-3-5-12/h6-7,9-10,12H,1-5,8,17H2.
What are the key properties of 3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one?
3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one has a molecular weight of 351.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one is sourced from PubChem (CID 103962037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).