4-chloro-5-hexadecyl-1H-pyrazole

C19H35ClN2 — CID 15509184

IUPAC4-chloro-5-hexadecyl-1H-pyrazole
SMILESCCCCCCCCCCCCCCCCc1[nH]ncc1Cl
InChIInChI=1S/C19H35ClN2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-18(20)17-21-22-19/h17H,2-16H2,1H3,(H,21,22)
InChIKeyWGJFVLJOSSBBMJ-UHFFFAOYSA-N
MW326.96 g/mol
LogP7.09
Rot. Bonds15

About 4-chloro-5-hexadecyl-1H-pyrazole

4-chloro-5-hexadecyl-1H-pyrazole (PubChem CID 15509184) has the molecular formula C19H35ClN2 and a molecular weight of 326.96 g/mol. Its IUPAC name is 4-chloro-5-hexadecyl-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-hexadecyl-1H-pyrazole
PubChem CID15509184
Molecular FormulaC19H35ClN2
Molecular Weight326.96 g/mol
Exact Mass326.25
IUPAC Name4-chloro-5-hexadecyl-1H-pyrazole
SMILESCCCCCCCCCCCCCCCCc1[nH]ncc1Cl
InChIInChI=1S/C19H35ClN2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-18(20)17-21-22-19/h17H,2-16H2,1H3,(H,21,22)
InChIKeyWGJFVLJOSSBBMJ-UHFFFAOYSA-N
XLogP7.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.96
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-hexadecyl-1H-pyrazole?
The IUPAC name of 4-chloro-5-hexadecyl-1H-pyrazole (CID 15509184) is 4-chloro-5-hexadecyl-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-hexadecyl-1H-pyrazole?
The canonical SMILES for 4-chloro-5-hexadecyl-1H-pyrazole is CCCCCCCCCCCCCCCCc1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-5-hexadecyl-1H-pyrazole?
The InChIKey is WGJFVLJOSSBBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35ClN2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-18(20)17-21-22-19/h17H,2-16H2,1H3,(H,21,22).
What are the key properties of 4-chloro-5-hexadecyl-1H-pyrazole?
4-chloro-5-hexadecyl-1H-pyrazole has a molecular weight of 326.96 g/mol, XLogP of 7.09, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-hexadecyl-1H-pyrazole is sourced from PubChem (CID 15509184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).