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

C10H15ClN2O — CID 79081887

IUPAC1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol
SMILESCc1nn(C)c(CC2(O)CCC2)c1Cl
InChIInChI=1S/C10H15ClN2O/c1-7-9(11)8(13(2)12-7)6-10(14)4-3-5-10/h14H,3-6H2,1-2H3
InChIKeyRLKHFDSTEOJGIH-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.84
Rot. Bonds2

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

1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol (PubChem CID 79081887) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol
PubChem CID79081887
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol
SMILESCc1nn(C)c(CC2(O)CCC2)c1Cl
InChIInChI=1S/C10H15ClN2O/c1-7-9(11)8(13(2)12-7)6-10(14)4-3-5-10/h14H,3-6H2,1-2H3
InChIKeyRLKHFDSTEOJGIH-UHFFFAOYSA-N
XLogP1.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol (CID 79081887) is 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol is Cc1nn(C)c(CC2(O)CCC2)c1Cl.
What is the InChIKey of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol?
The InChIKey is RLKHFDSTEOJGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-7-9(11)8(13(2)12-7)6-10(14)4-3-5-10/h14H,3-6H2,1-2H3.
What are the key properties of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol?
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol has a molecular weight of 214.70 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 79081887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).