1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol

C16H29ClN2O — CID 115813367

IUPAC1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol
SMILESCCCCCCCCC(O)Cc1c(Cl)c(C)nn1CC
InChIInChI=1S/C16H29ClN2O/c1-4-6-7-8-9-10-11-14(20)12-15-16(17)13(3)18-19(15)5-2/h14,20H,4-12H2,1-3H3
InChIKeyALKLGBDDUGZHGC-UHFFFAOYSA-N
MW300.87 g/mol
LogP4.52
Rot. Bonds10

About 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol

1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol (PubChem CID 115813367) has the molecular formula C16H29ClN2O and a molecular weight of 300.87 g/mol. Its IUPAC name is 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol
PubChem CID115813367
Molecular FormulaC16H29ClN2O
Molecular Weight300.87 g/mol
Exact Mass300.20
IUPAC Name1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol
SMILESCCCCCCCCC(O)Cc1c(Cl)c(C)nn1CC
InChIInChI=1S/C16H29ClN2O/c1-4-6-7-8-9-10-11-14(20)12-15-16(17)13(3)18-19(15)5-2/h14,20H,4-12H2,1-3H3
InChIKeyALKLGBDDUGZHGC-UHFFFAOYSA-N
XLogP4.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.87
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-propoxybutan-2-ol
CID 105107429
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine
CID 79411894
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol
CID 115813336
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pentan-2-ol
CID 113495772
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol
CID 66060491
1-(1,3-diethylpyrazol-5-yl)decan-2-ol
CID 115815685
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutanoic acid
CID 83139088
1-(4-chloro-1,3-dimethylpyrazol-5-yl)octan-2-amine
CID 104996704
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-one
CID 114980636
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-methylsulfonylbutan-2-ol
CID 115813292
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105107414
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 115813288

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol?
The IUPAC name of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol (CID 115813367) is 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol.
What is the SMILES notation for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol?
The canonical SMILES for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol is CCCCCCCCC(O)Cc1c(Cl)c(C)nn1CC.
What is the InChIKey of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol?
The InChIKey is ALKLGBDDUGZHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29ClN2O/c1-4-6-7-8-9-10-11-14(20)12-15-16(17)13(3)18-19(15)5-2/h14,20H,4-12H2,1-3H3.
What are the key properties of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol?
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol has a molecular weight of 300.87 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol is sourced from PubChem (CID 115813367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).