4-(4-chloropentyl)-1-methylpyrazole

C9H15ClN2 — CID 64514682

IUPAC4-(4-chloropentyl)-1-methylpyrazole
SMILESCC(Cl)CCCc1cnn(C)c1
InChIInChI=1S/C9H15ClN2/c1-8(10)4-3-5-9-6-11-12(2)7-9/h6-8H,3-5H2,1-2H3
InChIKeyXNDCBZWIZULKMV-UHFFFAOYSA-N
MW186.69 g/mol
LogP2.37
Rot. Bonds4

About 4-(4-chloropentyl)-1-methylpyrazole

4-(4-chloropentyl)-1-methylpyrazole (PubChem CID 64514682) has the molecular formula C9H15ClN2 and a molecular weight of 186.69 g/mol. Its IUPAC name is 4-(4-chloropentyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(4-chloropentyl)-1-methylpyrazole
PubChem CID64514682
Molecular FormulaC9H15ClN2
Molecular Weight186.69 g/mol
Exact Mass186.09
IUPAC Name4-(4-chloropentyl)-1-methylpyrazole
SMILESCC(Cl)CCCc1cnn(C)c1
InChIInChI=1S/C9H15ClN2/c1-8(10)4-3-5-9-6-11-12(2)7-9/h6-8H,3-5H2,1-2H3
InChIKeyXNDCBZWIZULKMV-UHFFFAOYSA-N
XLogP2.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.69
LogP ≤ 52.37
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

6-(1-methylpyrazol-4-yl)hexan-3-amine
CID 64506048
4-(5-bromo-6-methylheptyl)-1-methylpyrazole
CID 103016068
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine
CID 103015314
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
CID 164967779
4-(3-chloro-4-methoxybutyl)-1-methylpyrazole
CID 62320381
6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol
CID 103008236
4-(4-chloro-5-methylhexyl)-1-ethylpyrazole
CID 64508208
3-methyl-5-(1-methylpyrazol-4-yl)pentan-2-one
CID 103004218
1-methyl-4-propylpyrazole;propane
CID 155742221

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropentyl)-1-methylpyrazole?
The IUPAC name of 4-(4-chloropentyl)-1-methylpyrazole (CID 64514682) is 4-(4-chloropentyl)-1-methylpyrazole.
What is the SMILES notation for 4-(4-chloropentyl)-1-methylpyrazole?
The canonical SMILES for 4-(4-chloropentyl)-1-methylpyrazole is CC(Cl)CCCc1cnn(C)c1.
What is the InChIKey of 4-(4-chloropentyl)-1-methylpyrazole?
The InChIKey is XNDCBZWIZULKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2/c1-8(10)4-3-5-9-6-11-12(2)7-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-(4-chloropentyl)-1-methylpyrazole?
4-(4-chloropentyl)-1-methylpyrazole has a molecular weight of 186.69 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropentyl)-1-methylpyrazole is sourced from PubChem (CID 64514682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).