3-chloro-4-(chloromethyl)-5-cyclopropyl-1-ethylpyrazole

C9H12Cl2N2 — CID 162371639

IUPAC3-chloro-4-(chloromethyl)-5-cyclopropyl-1-ethylpyrazole
SMILESCCn1nc(Cl)c(CCl)c1C1CC1
InChIInChI=1S/C9H12Cl2N2/c1-2-13-8(6-3-4-6)7(5-10)9(11)12-13/h6H,2-5H2,1H3
InChIKeyDXNFPOWMNNIDBV-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.17
Rot. Bonds3

About 3-chloro-4-(chloromethyl)-5-cyclopropyl-1-ethylpyrazole

3-chloro-4-(chloromethyl)-5-cyclopropyl-1-ethylpyrazole (PubChem CID 162371639) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.11 g/mol. Its IUPAC name is 3-chloro-4-(chloromethyl)-5-cyclopropyl-1-ethylpyrazole.

Molecular Properties

Compound Name3-chloro-4-(chloromethyl)-5-cyclopropyl-1-ethylpyrazole
PubChem CID162371639
Molecular FormulaC9H12Cl2N2
Molecular Weight219.11 g/mol
Exact Mass218.04
IUPAC Name3-chloro-4-(chloromethyl)-5-cyclopropyl-1-ethylpyrazole
SMILESCCn1nc(Cl)c(CCl)c1C1CC1
InChIInChI=1S/C9H12Cl2N2/c1-2-13-8(6-3-4-6)7(5-10)9(11)12-13/h6H,2-5H2,1H3
InChIKeyDXNFPOWMNNIDBV-UHFFFAOYSA-N
XLogP3.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.17
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

1-butyl-5-chloro-4-(chloromethyl)-3-cyclopropylpyrazole
CID 63353947
1-butan-2-yl-5-chloro-4-(chloromethyl)-3-cyclopropylpyrazole
CID 63353989
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
4-(chloromethyl)-1-ethyl-3,5-dimethylpyrazole
CID 43648133
(5-cyclopropyl-1-ethyltriazol-4-yl)methanamine
CID 82207448
5-chloro-3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde
CID 63354116
5-cyclobutyl-1-ethylpyrazol-4-ol
CID 105433092
N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine
CID 66440322
2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-4,6-dimethylpyrimidine
CID 63353548
3-chloro-1-ethylpyrazole-4,5-diamine
CID 66769875
[3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol
CID 156705155
5-cyclopropyl-1-ethyltriazole-4-carbothioamide
CID 164663724

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(chloromethyl)-5-cyclopropyl-1-ethylpyrazole?
The IUPAC name of 3-chloro-4-(chloromethyl)-5-cyclopropyl-1-ethylpyrazole (CID 162371639) is 3-chloro-4-(chloromethyl)-5-cyclopropyl-1-ethylpyrazole.
What is the SMILES notation for 3-chloro-4-(chloromethyl)-5-cyclopropyl-1-ethylpyrazole?
The canonical SMILES for 3-chloro-4-(chloromethyl)-5-cyclopropyl-1-ethylpyrazole is CCn1nc(Cl)c(CCl)c1C1CC1.
What is the InChIKey of 3-chloro-4-(chloromethyl)-5-cyclopropyl-1-ethylpyrazole?
The InChIKey is DXNFPOWMNNIDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-2-13-8(6-3-4-6)7(5-10)9(11)12-13/h6H,2-5H2,1H3.
What are the key properties of 3-chloro-4-(chloromethyl)-5-cyclopropyl-1-ethylpyrazole?
3-chloro-4-(chloromethyl)-5-cyclopropyl-1-ethylpyrazole has a molecular weight of 219.11 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(chloromethyl)-5-cyclopropyl-1-ethylpyrazole is sourced from PubChem (CID 162371639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).