(3-cyclopropyl-1-ethylpyrazol-5-yl) 2,3-dichlorobenzoate

C15H14Cl2N2O2 — CID 140993966

IUPAC(3-cyclopropyl-1-ethylpyrazol-5-yl) 2,3-dichlorobenzoate
SMILESCCn1nc(C2CC2)cc1OC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-2-19-13(8-12(18-19)9-6-7-9)21-15(20)10-4-3-5-11(16)14(10)17/h3-5,8-9H,2,6-7H2,1H3
InChIKeyYJMFWNVTHPWZSC-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.31
Rot. Bonds4

About (3-cyclopropyl-1-ethylpyrazol-5-yl) 2,3-dichlorobenzoate

(3-cyclopropyl-1-ethylpyrazol-5-yl) 2,3-dichlorobenzoate (PubChem CID 140993966) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is (3-cyclopropyl-1-ethylpyrazol-5-yl) 2,3-dichlorobenzoate.

Molecular Properties

Compound Name(3-cyclopropyl-1-ethylpyrazol-5-yl) 2,3-dichlorobenzoate
PubChem CID140993966
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name(3-cyclopropyl-1-ethylpyrazol-5-yl) 2,3-dichlorobenzoate
SMILESCCn1nc(C2CC2)cc1OC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-2-19-13(8-12(18-19)9-6-7-9)21-15(20)10-4-3-5-11(16)14(10)17/h3-5,8-9H,2,6-7H2,1H3
InChIKeyYJMFWNVTHPWZSC-UHFFFAOYSA-N
XLogP4.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-cyclopropyl-1-ethylpyrazole-5-carboxylate
CID 25247505
(2,3-dichlorophenyl) 2,3-dichlorobenzoate
CID 68641846
(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate
CID 20714991
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone
CID 114980588
(1,3-diethylpyrazol-5-yl)methyl 3-amino-2-chlorobenzoate
CID 115936069
(2-ethyl-5-methylpyrazol-3-yl)methyl 3-amino-2-chlorobenzoate
CID 115936068
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2645595
(2-ethyl-5-methylpyrazol-3-yl) 4-chloro-2-nitrobenzoate
CID 13292176
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,3-dichlorobenzoate
CID 9202965
2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19415098
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
CID 65394546
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl] 2-chlorobenzoate
CID 2807373

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1-ethylpyrazol-5-yl) 2,3-dichlorobenzoate?
The IUPAC name of (3-cyclopropyl-1-ethylpyrazol-5-yl) 2,3-dichlorobenzoate (CID 140993966) is (3-cyclopropyl-1-ethylpyrazol-5-yl) 2,3-dichlorobenzoate.
What is the SMILES notation for (3-cyclopropyl-1-ethylpyrazol-5-yl) 2,3-dichlorobenzoate?
The canonical SMILES for (3-cyclopropyl-1-ethylpyrazol-5-yl) 2,3-dichlorobenzoate is CCn1nc(C2CC2)cc1OC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of (3-cyclopropyl-1-ethylpyrazol-5-yl) 2,3-dichlorobenzoate?
The InChIKey is YJMFWNVTHPWZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-2-19-13(8-12(18-19)9-6-7-9)21-15(20)10-4-3-5-11(16)14(10)17/h3-5,8-9H,2,6-7H2,1H3.
What are the key properties of (3-cyclopropyl-1-ethylpyrazol-5-yl) 2,3-dichlorobenzoate?
(3-cyclopropyl-1-ethylpyrazol-5-yl) 2,3-dichlorobenzoate has a molecular weight of 325.20 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1-ethylpyrazol-5-yl) 2,3-dichlorobenzoate is sourced from PubChem (CID 140993966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).