2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol

C11H19ClN2O — CID 66060491

IUPAC2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol
SMILESCCC(CO)Cc1c(Cl)c(C)nn1CC
InChIInChI=1S/C11H19ClN2O/c1-4-9(7-15)6-10-11(12)8(3)13-14(10)5-2/h9,15H,4-7H2,1-3H3
InChIKeyRQYWKSBAOUUKSR-UHFFFAOYSA-N
MW230.74 g/mol
LogP2.43
Rot. Bonds5

About 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol

2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol (PubChem CID 66060491) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol
PubChem CID66060491
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol
SMILESCCC(CO)Cc1c(Cl)c(C)nn1CC
InChIInChI=1S/C11H19ClN2O/c1-4-9(7-15)6-10-11(12)8(3)13-14(10)5-2/h9,15H,4-7H2,1-3H3
InChIKeyRQYWKSBAOUUKSR-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol
CID 66057532
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 66059067
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol
CID 79450163
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine
CID 79411894
4-chloro-5-[2-(chloromethyl)-3-(4-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole
CID 66035055
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-(3-methylphenyl)propan-1-ol
CID 79424330
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylbutan-1-ol
CID 66059584
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 114023077
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol
CID 115813367
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutanoic acid
CID 83139088
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 105160013
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 104998793

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol?
The IUPAC name of 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol (CID 66060491) is 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol.
What is the SMILES notation for 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol?
The canonical SMILES for 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol is CCC(CO)Cc1c(Cl)c(C)nn1CC.
What is the InChIKey of 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol?
The InChIKey is RQYWKSBAOUUKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O/c1-4-9(7-15)6-10-11(12)8(3)13-14(10)5-2/h9,15H,4-7H2,1-3H3.
What are the key properties of 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol?
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol has a molecular weight of 230.74 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol is sourced from PubChem (CID 66060491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).