(5-cyclopropyl-4-ethyl-1H-pyrazol-3-yl) 2,4-dichlorobenzoate

C15H14Cl2N2O2 — CID 70341606

IUPAC(5-cyclopropyl-4-ethyl-1H-pyrazol-3-yl) 2,4-dichlorobenzoate
SMILESCCc1c(OC(=O)c2ccc(Cl)cc2Cl)n[nH]c1C1CC1
InChIInChI=1S/C15H14Cl2N2O2/c1-2-10-13(8-3-4-8)18-19-14(10)21-15(20)11-6-5-9(16)7-12(11)17/h5-8H,2-4H2,1H3,(H,18,19)
InChIKeyCGUAGORZMKLVLJ-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.38
Rot. Bonds4

About (5-cyclopropyl-4-ethyl-1H-pyrazol-3-yl) 2,4-dichlorobenzoate

(5-cyclopropyl-4-ethyl-1H-pyrazol-3-yl) 2,4-dichlorobenzoate (PubChem CID 70341606) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is (5-cyclopropyl-4-ethyl-1H-pyrazol-3-yl) 2,4-dichlorobenzoate.

Molecular Properties

Compound Name(5-cyclopropyl-4-ethyl-1H-pyrazol-3-yl) 2,4-dichlorobenzoate
PubChem CID70341606
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name(5-cyclopropyl-4-ethyl-1H-pyrazol-3-yl) 2,4-dichlorobenzoate
SMILESCCc1c(OC(=O)c2ccc(Cl)cc2Cl)n[nH]c1C1CC1
InChIInChI=1S/C15H14Cl2N2O2/c1-2-10-13(8-3-4-8)18-19-14(10)21-15(20)11-6-5-9(16)7-12(11)17/h5-8H,2-4H2,1H3,(H,18,19)
InChIKeyCGUAGORZMKLVLJ-UHFFFAOYSA-N
XLogP4.38
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-propylcyclohexyl)phenyl] 2,4-dichlorobenzoate
CID 70521539
(3,4-dichlorophenyl) 2,4-dichlorobenzoate
CID 2805035
5-chloro-3-cyclopropyl-4-ethyl-2H-indazole
CID 155061237
(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate
CID 837741
2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79700911
(2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate
CID 1476061
prop-1-en-2-yl 2,4-dichlorobenzoate
CID 89323884
[4-(2-methylpropoxycarbonyl)phenyl] 2,4-dichlorobenzoate
CID 17149557
[2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7863033
[2-(2,3-dimethyl-6-propoxyphenyl)-3,4-dimethylphenyl] 2,4-dichlorobenzoate
CID 154928179
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7508265
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7873014

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-4-ethyl-1H-pyrazol-3-yl) 2,4-dichlorobenzoate?
The IUPAC name of (5-cyclopropyl-4-ethyl-1H-pyrazol-3-yl) 2,4-dichlorobenzoate (CID 70341606) is (5-cyclopropyl-4-ethyl-1H-pyrazol-3-yl) 2,4-dichlorobenzoate.
What is the SMILES notation for (5-cyclopropyl-4-ethyl-1H-pyrazol-3-yl) 2,4-dichlorobenzoate?
The canonical SMILES for (5-cyclopropyl-4-ethyl-1H-pyrazol-3-yl) 2,4-dichlorobenzoate is CCc1c(OC(=O)c2ccc(Cl)cc2Cl)n[nH]c1C1CC1.
What is the InChIKey of (5-cyclopropyl-4-ethyl-1H-pyrazol-3-yl) 2,4-dichlorobenzoate?
The InChIKey is CGUAGORZMKLVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-2-10-13(8-3-4-8)18-19-14(10)21-15(20)11-6-5-9(16)7-12(11)17/h5-8H,2-4H2,1H3,(H,18,19).
What are the key properties of (5-cyclopropyl-4-ethyl-1H-pyrazol-3-yl) 2,4-dichlorobenzoate?
(5-cyclopropyl-4-ethyl-1H-pyrazol-3-yl) 2,4-dichlorobenzoate has a molecular weight of 325.19 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-4-ethyl-1H-pyrazol-3-yl) 2,4-dichlorobenzoate is sourced from PubChem (CID 70341606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).