1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone

C8H11ClN2O — CID 83876724

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
SMILESCC(=O)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C8H11ClN2O/c1-5(2)11-8(6(3)12)7(9)4-10-11/h4-5H,1-3H3
InChIKeyQYOZIONTXOUFIM-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.32
Rot. Bonds2

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone (PubChem CID 83876724) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
PubChem CID83876724
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
SMILESCC(=O)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C8H11ClN2O/c1-5(2)11-8(6(3)12)7(9)4-10-11/h4-5H,1-3H3
InChIKeyQYOZIONTXOUFIM-UHFFFAOYSA-N
XLogP2.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670189
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one
CID 114641067
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one
CID 106677630
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethylbutan-1-one
CID 114670309
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)hexan-1-one
CID 115805024
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one
CID 114668919
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone
CID 103449641
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanone
CID 115805047
(4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 115805043
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone
CID 105130624
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-2-one
CID 114663661
(2-chloro-4-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114639921

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone (CID 83876724) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone is CC(=O)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone?
The InChIKey is QYOZIONTXOUFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-5(2)11-8(6(3)12)7(9)4-10-11/h4-5H,1-3H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone has a molecular weight of 186.64 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone is sourced from PubChem (CID 83876724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).