1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one

C12H19ClN2O2 — CID 114642546

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)c1c(Cl)cnn1CCC
InChIInChI=1S/C12H19ClN2O2/c1-4-6-10(17-3)12(16)11-9(13)8-14-15(11)7-5-2/h8,10H,4-7H2,1-3H3
InChIKeyCWQDDQQRSWBWDL-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.94
Rot. Bonds7

About 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one

1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one (PubChem CID 114642546) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one
PubChem CID114642546
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)c1c(Cl)cnn1CCC
InChIInChI=1S/C12H19ClN2O2/c1-4-6-10(17-3)12(16)11-9(13)8-14-15(11)7-5-2/h8,10H,4-7H2,1-3H3
InChIKeyCWQDDQQRSWBWDL-UHFFFAOYSA-N
XLogP2.94
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one
CID 114642539
5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one
CID 114671285
2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 114642520
2-(aminomethyl)-1-(4-chloro-1-propylpyrazol-5-yl)-3-methylbutan-1-one
CID 114669398
1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one
CID 115803895
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanone
CID 114641389
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
1-(4-chloro-1-propylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one
CID 105131020
(4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone
CID 114640551
3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210
2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one
CID 114669423
1-(4-chloro-1-propylpyrazol-5-yl)octan-1-one
CID 115805677

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one (CID 114642546) is 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one is CCCC(OC)C(=O)c1c(Cl)cnn1CCC.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one?
The InChIKey is CWQDDQQRSWBWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-4-6-10(17-3)12(16)11-9(13)8-14-15(11)7-5-2/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one?
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one has a molecular weight of 258.75 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one is sourced from PubChem (CID 114642546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).