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

C12H18Cl2N2 — CID 66036687

IUPAC4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
SMILESCCc1nn(CC)c(CC2(CCl)CC2)c1Cl
InChIInChI=1S/C12H18Cl2N2/c1-3-9-11(14)10(16(4-2)15-9)7-12(8-13)5-6-12/h3-8H2,1-2H3
InChIKeyRTYCXRSROJYQCN-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.68
Rot. Bonds5

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

4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole (PubChem CID 66036687) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole.

Molecular Properties

Compound Name4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
PubChem CID66036687
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
SMILESCCc1nn(CC)c(CC2(CCl)CC2)c1Cl
InChIInChI=1S/C12H18Cl2N2/c1-3-9-11(14)10(16(4-2)15-9)7-12(8-13)5-6-12/h3-8H2,1-2H3
InChIKeyRTYCXRSROJYQCN-UHFFFAOYSA-N
XLogP3.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-1,3-diethylpyrazol-5-yl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
CID 115455672
[4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66024539
4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
CID 106798368
[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 66060514
1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclooctane-1-carbonitrile
CID 80610063
4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 66466758
1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114952590
4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole
CID 115927269
N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023800
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 66026711
methyl 2-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetate
CID 107776204
[1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol
CID 103966491

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole?
The IUPAC name of 4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole (CID 66036687) is 4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole.
What is the SMILES notation for 4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole?
The canonical SMILES for 4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole is CCc1nn(CC)c(CC2(CCl)CC2)c1Cl.
What is the InChIKey of 4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole?
The InChIKey is RTYCXRSROJYQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-3-9-11(14)10(16(4-2)15-9)7-12(8-13)5-6-12/h3-8H2,1-2H3.
What are the key properties of 4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole?
4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole has a molecular weight of 261.20 g/mol, XLogP of 3.68, 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-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole is sourced from PubChem (CID 66036687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).