(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-pyrazol-1-ylmethanone

C10H11ClN4O — CID 90186074

IUPAC(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-pyrazol-1-ylmethanone
SMILESCCn1nc(C)c(Cl)c1C(=O)n1cccn1
InChIInChI=1S/C10H11ClN4O/c1-3-14-9(8(11)7(2)13-14)10(16)15-6-4-5-12-15/h4-6H,3H2,1-2H3
InChIKeyJPVDKAFXYIMOIF-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.75
Rot. Bonds2

About (4-chloro-1-ethyl-3-methylpyrazol-5-yl)-pyrazol-1-ylmethanone

(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-pyrazol-1-ylmethanone (PubChem CID 90186074) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is (4-chloro-1-ethyl-3-methylpyrazol-5-yl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-pyrazol-1-ylmethanone
PubChem CID90186074
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-pyrazol-1-ylmethanone
SMILESCCn1nc(C)c(Cl)c1C(=O)n1cccn1
InChIInChI=1S/C10H11ClN4O/c1-3-14-9(8(11)7(2)13-14)10(16)15-6-4-5-12-15/h4-6H,3H2,1-2H3
InChIKeyJPVDKAFXYIMOIF-UHFFFAOYSA-N
XLogP1.75
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethyl-3-methylpyrazol-5-yl)-pyrazol-1-ylmethanone?
The IUPAC name of (4-chloro-1-ethyl-3-methylpyrazol-5-yl)-pyrazol-1-ylmethanone (CID 90186074) is (4-chloro-1-ethyl-3-methylpyrazol-5-yl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (4-chloro-1-ethyl-3-methylpyrazol-5-yl)-pyrazol-1-ylmethanone?
The canonical SMILES for (4-chloro-1-ethyl-3-methylpyrazol-5-yl)-pyrazol-1-ylmethanone is CCn1nc(C)c(Cl)c1C(=O)n1cccn1.
What is the InChIKey of (4-chloro-1-ethyl-3-methylpyrazol-5-yl)-pyrazol-1-ylmethanone?
The InChIKey is JPVDKAFXYIMOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-3-14-9(8(11)7(2)13-14)10(16)15-6-4-5-12-15/h4-6H,3H2,1-2H3.
What are the key properties of (4-chloro-1-ethyl-3-methylpyrazol-5-yl)-pyrazol-1-ylmethanone?
(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-pyrazol-1-ylmethanone has a molecular weight of 238.68 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethyl-3-methylpyrazol-5-yl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 90186074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).