1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one

C13H21ClN2O — CID 115803895

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1c(Cl)cnn1CC
InChIInChI=1S/C13H21ClN2O/c1-4-7-10(8-5-2)13(17)12-11(14)9-15-16(12)6-3/h9-10H,4-8H2,1-3H3
InChIKeyQHCFBLOCBDHOLN-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.96
Rot. Bonds7

About 1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one

1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one (PubChem CID 115803895) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one
PubChem CID115803895
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1c(Cl)cnn1CC
InChIInChI=1S/C13H21ClN2O/c1-4-7-10(8-5-2)13(17)12-11(14)9-15-16(12)6-3/h9-10H,4-8H2,1-3H3
InChIKeyQHCFBLOCBDHOLN-UHFFFAOYSA-N
XLogP3.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one
CID 114669423
4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670411
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one
CID 114642546
1-(4-chloro-1-ethylpyrazol-5-yl)prop-2-en-1-one
CID 103453544
5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one
CID 114671285
1-(4-chloro-1-ethylpyrazol-5-yl)-3,4,4-trimethylpentan-1-one
CID 115803878
2-(aminomethyl)-1-(4-chloro-1-propylpyrazol-5-yl)-3-methylbutan-1-one
CID 114669398
(4-aminophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114668108
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130314
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one
CID 114642539
(4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114671121
(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone
CID 57214416

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one (CID 115803895) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one is CCCC(CCC)C(=O)c1c(Cl)cnn1CC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one?
The InChIKey is QHCFBLOCBDHOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-4-7-10(8-5-2)13(17)12-11(14)9-15-16(12)6-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one has a molecular weight of 256.78 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one is sourced from PubChem (CID 115803895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).