2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol

C10H17ClN2O — CID 66057532

IUPAC2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol
SMILESCCC(CO)Cc1c(Cl)c(C)nn1C
InChIInChI=1S/C10H17ClN2O/c1-4-8(6-14)5-9-10(11)7(2)12-13(9)3/h8,14H,4-6H2,1-3H3
InChIKeyIUWKKILSWAUJHJ-UHFFFAOYSA-N
MW216.71 g/mol
LogP1.94
Rot. Bonds4

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

2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol (PubChem CID 66057532) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol
PubChem CID66057532
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol
SMILESCCC(CO)Cc1c(Cl)c(C)nn1C
InChIInChI=1S/C10H17ClN2O/c1-4-8(6-14)5-9-10(11)7(2)12-13(9)3/h8,14H,4-6H2,1-3H3
InChIKeyIUWKKILSWAUJHJ-UHFFFAOYSA-N
XLogP1.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol
CID 66060491
tert-butyl N-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate
CID 106508989
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105106613
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312548
4-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81015475
1-(4-chloro-1,3-dimethylpyrazol-5-yl)octan-2-amine
CID 104996704
5-[2-(bromomethyl)-3,3-dimethylbutyl]-4-chloro-1,3-dimethylpyrazole
CID 83141707
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethylfuran-3-yl)ethanamine
CID 114104418
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877832
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methyl-3-propylhexan-2-amine
CID 104996529
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 79449846
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 104996691

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol?
The IUPAC name of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol (CID 66057532) is 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol.
What is the SMILES notation for 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol?
The canonical SMILES for 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol is CCC(CO)Cc1c(Cl)c(C)nn1C.
What is the InChIKey of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol?
The InChIKey is IUWKKILSWAUJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O/c1-4-8(6-14)5-9-10(11)7(2)12-13(9)3/h8,14H,4-6H2,1-3H3.
What are the key properties of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol?
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol has a molecular weight of 216.71 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol is sourced from PubChem (CID 66057532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).