1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one

C11H17ClN2O — CID 114663535

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one
SMILESCCCn1ncc(Cl)c1CCC(=O)CC
InChIInChI=1S/C11H17ClN2O/c1-3-7-14-11(10(12)8-13-14)6-5-9(15)4-2/h8H,3-7H2,1-2H3
InChIKeyWRACUGPDIFDPFM-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.86
Rot. Bonds6

About 1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one

1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one (PubChem CID 114663535) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one
PubChem CID114663535
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one
SMILESCCCn1ncc(Cl)c1CCC(=O)CC
InChIInChI=1S/C11H17ClN2O/c1-3-7-14-11(10(12)8-13-14)6-5-9(15)4-2/h8H,3-7H2,1-2H3
InChIKeyWRACUGPDIFDPFM-UHFFFAOYSA-N
XLogP2.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-2-one
CID 114663500
1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol
CID 114664972
N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine
CID 114662779
1-(4-bromo-1-methylpyrazol-5-yl)pentan-3-one
CID 114663538
3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210
1-(4-chloro-1-propylpyrazol-5-yl)octan-1-one
CID 115805677
1-(4-chloro-1-propylpyrazol-5-yl)-2-(dimethylamino)-2-methylpropan-1-one
CID 114641062
4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole
CID 114665292
5-bromo-4-chloro-1-propylpyrazole
CID 164664603
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol
CID 114662418
6-amino-1-(4-chloro-1-propylpyrazol-5-yl)hexan-1-one
CID 114668173

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one (CID 114663535) is 1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one is CCCn1ncc(Cl)c1CCC(=O)CC.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one?
The InChIKey is WRACUGPDIFDPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-3-7-14-11(10(12)8-13-14)6-5-9(15)4-2/h8H,3-7H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one?
1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one has a molecular weight of 228.72 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one is sourced from PubChem (CID 114663535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).