1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole

C13H14Cl2N2 — CID 55109177

IUPAC1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole
SMILESCCC(Cl)c1cnn(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H14Cl2N2/c1-2-13(15)11-7-16-17(9-11)8-10-3-5-12(14)6-4-10/h3-7,9,13H,2,8H2,1H3
InChIKeyPIYCSBMQRRNRPQ-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.27
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole

1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole (PubChem CID 55109177) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole
PubChem CID55109177
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole
SMILESCCC(Cl)c1cnn(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H14Cl2N2/c1-2-13(15)11-7-16-17(9-11)8-10-3-5-12(14)6-4-10/h3-7,9,13H,2,8H2,1H3
InChIKeyPIYCSBMQRRNRPQ-UHFFFAOYSA-N
XLogP4.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.27
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-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
CID 62729663
1-[(2-chloro-3-fluorophenyl)methyl]-4-(1-chloropropyl)pyrazole
CID 112654315
1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol
CID 103041267
1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103041249
1-[(2-bromo-4-fluorophenyl)methyl]-4-(1-chloropropyl)pyrazole
CID 62730571
4-(1-chloropropyl)-1-dodecylpyrazole
CID 63512488
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]propan-1-one
CID 55110396
1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol
CID 65318492
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide
CID 22201754
N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 62729600
2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 62732030
1-[1-[(3-bromo-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62730081

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole (CID 55109177) is 1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole is CCC(Cl)c1cnn(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole?
The InChIKey is PIYCSBMQRRNRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-2-13(15)11-7-16-17(9-11)8-10-3-5-12(14)6-4-10/h3-7,9,13H,2,8H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole?
1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole has a molecular weight of 269.18 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole is sourced from PubChem (CID 55109177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).