3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one

C12H15ClN4O — CID 82990835

IUPAC3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one
SMILESCCn1nc(C)c(Cl)c1Cn1ccc(=O)c(N)c1
InChIInChI=1S/C12H15ClN4O/c1-3-17-10(12(13)8(2)15-17)7-16-5-4-11(18)9(14)6-16/h4-6H,3,7,14H2,1-2H3
InChIKeyGVSWZLJEBFGTDJ-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.66
Rot. Bonds3

About 3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one

3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one (PubChem CID 82990835) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one
PubChem CID82990835
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one
SMILESCCn1nc(C)c(Cl)c1Cn1ccc(=O)c(N)c1
InChIInChI=1S/C12H15ClN4O/c1-3-17-10(12(13)8(2)15-17)7-16-5-4-11(18)9(14)6-16/h4-6H,3,7,14H2,1-2H3
InChIKeyGVSWZLJEBFGTDJ-UHFFFAOYSA-N
XLogP1.66
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one (CID 82990835) is 3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one is CCn1nc(C)c(Cl)c1Cn1ccc(=O)c(N)c1.
What is the InChIKey of 3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one?
The InChIKey is GVSWZLJEBFGTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-3-17-10(12(13)8(2)15-17)7-16-5-4-11(18)9(14)6-16/h4-6H,3,7,14H2,1-2H3.
What are the key properties of 3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one?
3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one has a molecular weight of 266.73 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82990835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).