4-(1-chloroethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole

C14H25ClN2O — CID 82700077

IUPAC4-(1-chloroethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole
SMILESCCc1nn(CCOC(C)C)c(CC)c1C(C)Cl
InChIInChI=1S/C14H25ClN2O/c1-6-12-14(11(5)15)13(7-2)17(16-12)8-9-18-10(3)4/h10-11H,6-9H2,1-5H3
InChIKeyBPVRVZXIALWZFF-UHFFFAOYSA-N
MW272.82 g/mol
LogP3.73
Rot. Bonds7

About 4-(1-chloroethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole

4-(1-chloroethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole (PubChem CID 82700077) has the molecular formula C14H25ClN2O and a molecular weight of 272.82 g/mol. Its IUPAC name is 4-(1-chloroethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole.

Molecular Properties

Compound Name4-(1-chloroethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole
PubChem CID82700077
Molecular FormulaC14H25ClN2O
Molecular Weight272.82 g/mol
Exact Mass272.17
IUPAC Name4-(1-chloroethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole
SMILESCCc1nn(CCOC(C)C)c(CC)c1C(C)Cl
InChIInChI=1S/C14H25ClN2O/c1-6-12-14(11(5)15)13(7-2)17(16-12)8-9-18-10(3)4/h10-11H,6-9H2,1-5H3
InChIKeyBPVRVZXIALWZFF-UHFFFAOYSA-N
XLogP3.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole?
The IUPAC name of 4-(1-chloroethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole (CID 82700077) is 4-(1-chloroethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole.
What is the SMILES notation for 4-(1-chloroethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole?
The canonical SMILES for 4-(1-chloroethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole is CCc1nn(CCOC(C)C)c(CC)c1C(C)Cl.
What is the InChIKey of 4-(1-chloroethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole?
The InChIKey is BPVRVZXIALWZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN2O/c1-6-12-14(11(5)15)13(7-2)17(16-12)8-9-18-10(3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of 4-(1-chloroethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole?
4-(1-chloroethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole has a molecular weight of 272.82 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole is sourced from PubChem (CID 82700077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).