3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclopropyl-1-ethoxypropan-2-one

C14H21ClN2O2 — CID 116709379

IUPAC3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclopropyl-1-ethoxypropan-2-one
SMILESCCOC(C(=O)Cc1c(Cl)c(CC)nn1C)C1CC1
InChIInChI=1S/C14H21ClN2O2/c1-4-10-13(15)11(17(3)16-10)8-12(18)14(19-5-2)9-6-7-9/h9,14H,4-8H2,1-3H3
InChIKeyBTDCIEZEMJYISJ-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.56
Rot. Bonds7

About 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclopropyl-1-ethoxypropan-2-one

3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclopropyl-1-ethoxypropan-2-one (PubChem CID 116709379) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclopropyl-1-ethoxypropan-2-one.

Molecular Properties

Compound Name3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclopropyl-1-ethoxypropan-2-one
PubChem CID116709379
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclopropyl-1-ethoxypropan-2-one
SMILESCCOC(C(=O)Cc1c(Cl)c(CC)nn1C)C1CC1
InChIInChI=1S/C14H21ClN2O2/c1-4-10-13(15)11(17(3)16-10)8-12(18)14(19-5-2)9-6-7-9/h9,14H,4-8H2,1-3H3
InChIKeyBTDCIEZEMJYISJ-UHFFFAOYSA-N
XLogP2.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-cyclopentylbutan-2-one
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1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one
CID 116587031
7-amino-1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methyloctan-2-one
CID 116574379
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3-amino-1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methylpentan-2-one
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1-(2-aminocyclopentyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116580338
1-(2-aminocycloheptyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116595346
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748381
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclopropyl-1-ethoxypropan-2-one?
The IUPAC name of 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclopropyl-1-ethoxypropan-2-one (CID 116709379) is 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclopropyl-1-ethoxypropan-2-one.
What is the SMILES notation for 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclopropyl-1-ethoxypropan-2-one?
The canonical SMILES for 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclopropyl-1-ethoxypropan-2-one is CCOC(C(=O)Cc1c(Cl)c(CC)nn1C)C1CC1.
What is the InChIKey of 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclopropyl-1-ethoxypropan-2-one?
The InChIKey is BTDCIEZEMJYISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-10-13(15)11(17(3)16-10)8-12(18)14(19-5-2)9-6-7-9/h9,14H,4-8H2,1-3H3.
What are the key properties of 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclopropyl-1-ethoxypropan-2-one?
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclopropyl-1-ethoxypropan-2-one has a molecular weight of 284.79 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclopropyl-1-ethoxypropan-2-one is sourced from PubChem (CID 116709379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).