1-(5-chloro-3-methylpentyl)-3,5-diethylpyrazole

C13H23ClN2 — CID 82693006

IUPAC1-(5-chloro-3-methylpentyl)-3,5-diethylpyrazole
SMILESCCc1cc(CC)n(CCC(C)CCCl)n1
InChIInChI=1S/C13H23ClN2/c1-4-12-10-13(5-2)16(15-12)9-7-11(3)6-8-14/h10-11H,4-9H2,1-3H3
InChIKeyVMFBVRROTHQRLB-UHFFFAOYSA-N
MW242.79 g/mol
LogP3.66
Rot. Bonds7

About 1-(5-chloro-3-methylpentyl)-3,5-diethylpyrazole

1-(5-chloro-3-methylpentyl)-3,5-diethylpyrazole (PubChem CID 82693006) has the molecular formula C13H23ClN2 and a molecular weight of 242.79 g/mol. Its IUPAC name is 1-(5-chloro-3-methylpentyl)-3,5-diethylpyrazole.

Molecular Properties

Compound Name1-(5-chloro-3-methylpentyl)-3,5-diethylpyrazole
PubChem CID82693006
Molecular FormulaC13H23ClN2
Molecular Weight242.79 g/mol
Exact Mass242.15
IUPAC Name1-(5-chloro-3-methylpentyl)-3,5-diethylpyrazole
SMILESCCc1cc(CC)n(CCC(C)CCCl)n1
InChIInChI=1S/C13H23ClN2/c1-4-12-10-13(5-2)16(15-12)9-7-11(3)6-8-14/h10-11H,4-9H2,1-3H3
InChIKeyVMFBVRROTHQRLB-UHFFFAOYSA-N
XLogP3.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.79
LogP ≤ 53.66
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

3,5-diethyl-1-propylpyrazole
CID 82699697
3-(3,5-diethylpyrazol-1-yl)-2-methylpropane-1-thiol
CID 82700558
(2R)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
CID 103934891
1-(3,3-dimethylbutyl)-3,5-diethylpyrazole
CID 82698927
1-(3,5-diethylpyrazol-1-yl)propan-2-ol
CID 82694148
3-(3,5-diethylpyrazol-1-yl)propan-1-ol
CID 82694262
ethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate
CID 82699023
3,5-diethyl-1-(2-propoxyethyl)pyrazole
CID 106458013
2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butan-1-ol
CID 82698967
5-(3,5-diethylpyrazol-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106810128
6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine
CID 106800552
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-methylpentyl)-3,5-diethylpyrazole?
The IUPAC name of 1-(5-chloro-3-methylpentyl)-3,5-diethylpyrazole (CID 82693006) is 1-(5-chloro-3-methylpentyl)-3,5-diethylpyrazole.
What is the SMILES notation for 1-(5-chloro-3-methylpentyl)-3,5-diethylpyrazole?
The canonical SMILES for 1-(5-chloro-3-methylpentyl)-3,5-diethylpyrazole is CCc1cc(CC)n(CCC(C)CCCl)n1.
What is the InChIKey of 1-(5-chloro-3-methylpentyl)-3,5-diethylpyrazole?
The InChIKey is VMFBVRROTHQRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN2/c1-4-12-10-13(5-2)16(15-12)9-7-11(3)6-8-14/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(5-chloro-3-methylpentyl)-3,5-diethylpyrazole?
1-(5-chloro-3-methylpentyl)-3,5-diethylpyrazole has a molecular weight of 242.79 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-methylpentyl)-3,5-diethylpyrazole is sourced from PubChem (CID 82693006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).