4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole

C12H18Cl2N2 — CID 114665292

IUPAC4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole
SMILESCCCn1ncc(Cl)c1CCC(Cl)C1CC1
InChIInChI=1S/C12H18Cl2N2/c1-2-7-16-12(11(14)8-15-16)6-5-10(13)9-3-4-9/h8-10H,2-7H2,1H3
InChIKeyODXKAIAOCCYROW-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.90
Rot. Bonds6

About 4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole

4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole (PubChem CID 114665292) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole.

Molecular Properties

Compound Name4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole
PubChem CID114665292
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole
SMILESCCCn1ncc(Cl)c1CCC(Cl)C1CC1
InChIInChI=1S/C12H18Cl2N2/c1-2-7-16-12(11(14)8-15-16)6-5-10(13)9-3-4-9/h8-10H,2-7H2,1H3
InChIKeyODXKAIAOCCYROW-UHFFFAOYSA-N
XLogP3.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.90
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

3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine
CID 114664361
1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol
CID 114664972
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-ethylpropan-1-amine
CID 114664348
3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 114664344
4-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole
CID 64508215
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol
CID 114664997
2-[5-(3-chloro-3-cyclopropylpropyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114665294
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol
CID 103456755
N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine
CID 114662779
3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine
CID 114664429
1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one
CID 114663535
(4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol
CID 114644031

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole?
The IUPAC name of 4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole (CID 114665292) is 4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole.
What is the SMILES notation for 4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole?
The canonical SMILES for 4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole is CCCn1ncc(Cl)c1CCC(Cl)C1CC1.
What is the InChIKey of 4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole?
The InChIKey is ODXKAIAOCCYROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-2-7-16-12(11(14)8-15-16)6-5-10(13)9-3-4-9/h8-10H,2-7H2,1H3.
What are the key properties of 4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole?
4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole has a molecular weight of 261.20 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole is sourced from PubChem (CID 114665292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).