4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole

C13H20Cl2N2 — CID 106798368

IUPAC4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
SMILESCCc1nn(CC)c(CC2(C(C)Cl)CC2)c1Cl
InChIInChI=1S/C13H20Cl2N2/c1-4-10-12(15)11(17(5-2)16-10)8-13(6-7-13)9(3)14/h9H,4-8H2,1-3H3
InChIKeyFBWKEECHLDIVGA-UHFFFAOYSA-N
MW275.22 g/mol
LogP4.07
Rot. Bonds5

About 4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole

4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole (PubChem CID 106798368) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is 4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole.

Molecular Properties

Compound Name4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
PubChem CID106798368
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC Name4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
SMILESCCc1nn(CC)c(CC2(C(C)Cl)CC2)c1Cl
InChIInChI=1S/C13H20Cl2N2/c1-4-10-12(15)11(17(5-2)16-10)8-13(6-7-13)9(3)14/h9H,4-8H2,1-3H3
InChIKeyFBWKEECHLDIVGA-UHFFFAOYSA-N
XLogP4.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
CID 66036687
4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 66466758
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopropyl]ethanamine
CID 106797396
1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclooctane-1-carbonitrile
CID 80610063
[4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66024539
[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 66060514
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-amine
CID 79616081
4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole
CID 115927269
1-(4-chloro-1,3-diethylpyrazol-5-yl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
CID 115455672
4-chloro-5-[2-(chloromethyl)-2,3-dimethylbutyl]-1,3-diethylpyrazole
CID 83152816
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-methylsulfonylbutan-2-amine
CID 105001433
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 66026711

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole?
The IUPAC name of 4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole (CID 106798368) is 4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole.
What is the SMILES notation for 4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole?
The canonical SMILES for 4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole is CCc1nn(CC)c(CC2(C(C)Cl)CC2)c1Cl.
What is the InChIKey of 4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole?
The InChIKey is FBWKEECHLDIVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-4-10-12(15)11(17(5-2)16-10)8-13(6-7-13)9(3)14/h9H,4-8H2,1-3H3.
What are the key properties of 4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole?
4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole has a molecular weight of 275.22 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole is sourced from PubChem (CID 106798368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).