4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole

C14H16BrClN2 — CID 66436656

IUPAC4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole
SMILESCCCc1c(CBr)cnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16BrClN2/c1-2-3-14-12(8-15)9-17-18(14)10-11-4-6-13(16)7-5-11/h4-7,9H,2-3,8,10H2,1H3
InChIKeyFDAKZKUVBYMPEZ-UHFFFAOYSA-N
MW327.65 g/mol
LogP4.43
Rot. Bonds5

About 4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole

4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole (PubChem CID 66436656) has the molecular formula C14H16BrClN2 and a molecular weight of 327.65 g/mol. Its IUPAC name is 4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole
PubChem CID66436656
Molecular FormulaC14H16BrClN2
Molecular Weight327.65 g/mol
Exact Mass326.02
IUPAC Name4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole
SMILESCCCc1c(CBr)cnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16BrClN2/c1-2-3-14-12(8-15)9-17-18(14)10-11-4-6-13(16)7-5-11/h4-7,9H,2-3,8,10H2,1H3
InChIKeyFDAKZKUVBYMPEZ-UHFFFAOYSA-N
XLogP4.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.65
LogP ≤ 54.43
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-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole
CID 661809
1-(3-Chloro-benzyl)-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 12052258
1-(3-Chloro-benzyl)-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219164
1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 580838
1-(4-chlorobenzyl)-3-cyclopropyl-1H-pyrazole
CID 3797105
3-Cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole
CID 3832516
5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 9675756
2-[[3-(4-Chlorophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methylidene]propanedinitrile
CID 2319268
3-{3-(4-chlorophenyl)-4-[(hydroxyimino)methyl]-1H-pyrazol-1-yl}propanenitrile
CID 5337216
1-[(4-Chlorophenyl)methyl]indazole
CID 12312271
1-Benzyl-3-methyl-1H-pyrazole
CID 10419637
4-bromo-1-[(4-chlorophenyl)methyl]-1H-pyrazole
CID 61029932

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole?
The IUPAC name of 4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole (CID 66436656) is 4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole.
What is the SMILES notation for 4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole?
The canonical SMILES for 4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole is CCCc1c(CBr)cnn1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole?
The InChIKey is FDAKZKUVBYMPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2/c1-2-3-14-12(8-15)9-17-18(14)10-11-4-6-13(16)7-5-11/h4-7,9H,2-3,8,10H2,1H3.
What are the key properties of 4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole?
4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole has a molecular weight of 327.65 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole is sourced from PubChem (CID 66436656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).