ethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate

C15H15ClN2O2 — CID 58818183

IUPACethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate
SMILESCCOC(=O)c1cc(-c2cc(C3CC3)[nH]n2)ccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-2-20-15(19)11-7-10(5-6-12(11)16)14-8-13(17-18-14)9-3-4-9/h5-9H,2-4H2,1H3,(H,17,18)
InChIKeyHCCRSNOLWWNZQQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.78
Rot. Bonds4

About ethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate

ethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate (PubChem CID 58818183) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is ethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate
PubChem CID58818183
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Nameethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate
SMILESCCOC(=O)c1cc(-c2cc(C3CC3)[nH]n2)ccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-2-20-15(19)11-7-10(5-6-12(11)16)14-8-13(17-18-14)9-3-4-9/h5-9H,2-4H2,1H3,(H,17,18)
InChIKeyHCCRSNOLWWNZQQ-UHFFFAOYSA-N
XLogP3.78
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 58818168
4-(5-cyclopropyl-1H-pyrazol-3-yl)benzoic acid
CID 122430192
ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate
CID 121205225
ethyl 5-chloro-2-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxylate
CID 92593007
5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate
CID 162018519
ethyl 3-(4-cyclohexylphenyl)-1H-pyrazole-5-carboxylate
CID 75357944
ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate
CID 112694248
ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate
CID 134623240
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 3-chloro-2-cyclopropylpyridine-4-carboxylate
CID 71239170
ethyl 2-chloro-6-cyclopropylpyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate
CID 175912460
ethyl 2-[2-oxo-4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetate
CID 91506091

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate?
The IUPAC name of ethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate (CID 58818183) is ethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate.
What is the SMILES notation for ethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate?
The canonical SMILES for ethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate is CCOC(=O)c1cc(-c2cc(C3CC3)[nH]n2)ccc1Cl.
What is the InChIKey of ethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate?
The InChIKey is HCCRSNOLWWNZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-20-15(19)11-7-10(5-6-12(11)16)14-8-13(17-18-14)9-3-4-9/h5-9H,2-4H2,1H3,(H,17,18).
What are the key properties of ethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate?
ethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate has a molecular weight of 290.75 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate is sourced from PubChem (CID 58818183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).