(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone

C13H14ClN3O — CID 154148009

IUPAC(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone
SMILESCCn1nc(C)c(N)c1C(=O)c1ccccc1Cl
InChIInChI=1S/C13H14ClN3O/c1-3-17-12(11(15)8(2)16-17)13(18)9-6-4-5-7-10(9)14/h4-7H,3,15H2,1-2H3
InChIKeyBGMBZPHJJAODDY-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.68
Rot. Bonds3

About (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone

(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone (PubChem CID 154148009) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone
PubChem CID154148009
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone
SMILESCCn1nc(C)c(N)c1C(=O)c1ccccc1Cl
InChIInChI=1S/C13H14ClN3O/c1-3-17-12(11(15)8(2)16-17)13(18)9-6-4-5-7-10(9)14/h4-7H,3,15H2,1-2H3
InChIKeyBGMBZPHJJAODDY-UHFFFAOYSA-N
XLogP2.68
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone?
The IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone (CID 154148009) is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone?
The canonical SMILES for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone is CCn1nc(C)c(N)c1C(=O)c1ccccc1Cl.
What is the InChIKey of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone?
The InChIKey is BGMBZPHJJAODDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-3-17-12(11(15)8(2)16-17)13(18)9-6-4-5-7-10(9)14/h4-7H,3,15H2,1-2H3.
What are the key properties of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone?
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone has a molecular weight of 263.73 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone is sourced from PubChem (CID 154148009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).