1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol

C9H15ClN2O — CID 70565587

IUPAC1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol
SMILESCCCC(O)n1nc(C)c(Cl)c1C
InChIInChI=1S/C9H15ClN2O/c1-4-5-8(13)12-7(3)9(10)6(2)11-12/h8,13H,4-5H2,1-3H3
InChIKeyNETPIGOGCSZTHA-UHFFFAOYSA-N
MW202.69 g/mol
LogP2.44
Rot. Bonds3

About 1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol

1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol (PubChem CID 70565587) has the molecular formula C9H15ClN2O and a molecular weight of 202.69 g/mol. Its IUPAC name is 1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol
PubChem CID70565587
Molecular FormulaC9H15ClN2O
Molecular Weight202.69 g/mol
Exact Mass202.09
IUPAC Name1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol
SMILESCCCC(O)n1nc(C)c(Cl)c1C
InChIInChI=1S/C9H15ClN2O/c1-4-5-8(13)12-7(3)9(10)6(2)11-12/h8,13H,4-5H2,1-3H3
InChIKeyNETPIGOGCSZTHA-UHFFFAOYSA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol?
The IUPAC name of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol (CID 70565587) is 1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol.
What is the SMILES notation for 1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol?
The canonical SMILES for 1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol is CCCC(O)n1nc(C)c(Cl)c1C.
What is the InChIKey of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol?
The InChIKey is NETPIGOGCSZTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-4-5-8(13)12-7(3)9(10)6(2)11-12/h8,13H,4-5H2,1-3H3.
What are the key properties of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol?
1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol has a molecular weight of 202.69 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol is sourced from PubChem (CID 70565587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).