1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol

C11H19ClN2O — CID 114635180

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C11H19ClN2O/c1-5-8(4)11(15)10-9(12)6-13-14(10)7(2)3/h6-8,11,15H,5H2,1-4H3
InChIKeyIFZGGGVYZIAHDA-UHFFFAOYSA-N
MW230.74 g/mol
LogP3.20
Rot. Bonds4

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol (PubChem CID 114635180) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
PubChem CID114635180
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C11H19ClN2O/c1-5-8(4)11(15)10-9(12)6-13-14(10)7(2)3/h6-8,11,15H,5H2,1-4H3
InChIKeyIFZGGGVYZIAHDA-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635183
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 164658431
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635606
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835241
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine
CID 114655949
2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol
CID 105128173
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-ethoxybutan-1-ol
CID 105128291
4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol
CID 114644194
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 114644430
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine
CID 114652830
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylcyclohexyl)methanol
CID 114644004
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 114649102

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol (CID 114635180) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol is CCC(C)C(O)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol?
The InChIKey is IFZGGGVYZIAHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O/c1-5-8(4)11(15)10-9(12)6-13-14(10)7(2)3/h6-8,11,15H,5H2,1-4H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol has a molecular weight of 230.74 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 114635180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).