4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol

C8H13ClN2O — CID 114664884

IUPAC4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol
SMILESCC(O)CCc1c(Cl)cnn1C
InChIInChI=1S/C8H13ClN2O/c1-6(12)3-4-8-7(9)5-10-11(8)2/h5-6,12H,3-4H2,1-2H3
InChIKeyGREWIGIJQIPMDR-UHFFFAOYSA-N
MW188.66 g/mol
LogP1.39
Rot. Bonds3

About 4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol

4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol (PubChem CID 114664884) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol
PubChem CID114664884
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol
SMILESCC(O)CCc1c(Cl)cnn1C
InChIInChI=1S/C8H13ClN2O/c1-6(12)3-4-8-7(9)5-10-11(8)2/h5-6,12H,3-4H2,1-2H3
InChIKeyGREWIGIJQIPMDR-UHFFFAOYSA-N
XLogP1.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-3-one
CID 114663560
1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine
CID 114664248
1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol
CID 114664972
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid
CID 83832130
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanal
CID 83828956
4-chloro-5-(methoxymethyl)-1-methylpyrazole
CID 19779911
1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
CID 114665007
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
CID 83829412
1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635183
1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129706
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol
CID 114664997
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670407

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol?
The IUPAC name of 4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol (CID 114664884) is 4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol.
What is the SMILES notation for 4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol?
The canonical SMILES for 4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol is CC(O)CCc1c(Cl)cnn1C.
What is the InChIKey of 4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol?
The InChIKey is GREWIGIJQIPMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O/c1-6(12)3-4-8-7(9)5-10-11(8)2/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol?
4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol has a molecular weight of 188.66 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol is sourced from PubChem (CID 114664884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).