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

C11H19ClN2O — CID 114635606

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
SMILESCCCCC(O)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C11H19ClN2O/c1-4-5-6-10(15)11-9(12)7-13-14(11)8(2)3/h7-8,10,15H,4-6H2,1-3H3
InChIKeyKOLLLSJXQTWXPD-UHFFFAOYSA-N
MW230.74 g/mol
LogP3.34
Rot. Bonds5

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

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol (PubChem CID 114635606) 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)pentan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
PubChem CID114635606
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
SMILESCCCCC(O)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C11H19ClN2O/c1-4-5-6-10(15)11-9(12)7-13-14(11)8(2)3/h7-8,10,15H,4-6H2,1-3H3
InChIKeyKOLLLSJXQTWXPD-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)-4-ethoxybutan-1-ol
CID 105128291
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635608
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propan-2-ylpentan-1-amine
CID 114657485
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine
CID 114657470
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol
CID 114635708
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635180
1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol
CID 114635666
1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol
CID 115836696
1-(4-chloro-1-methylpyrazol-5-yl)nonan-1-ol
CID 115836753
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835241
1-(4-chloro-1-ethylpyrazol-5-yl)dodecan-1-ol
CID 115834843

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol (CID 114635606) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol is CCCCC(O)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol?
The InChIKey is KOLLLSJXQTWXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O/c1-4-5-6-10(15)11-9(12)7-13-14(11)8(2)3/h7-8,10,15H,4-6H2,1-3H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol has a molecular weight of 230.74 g/mol, XLogP of 3.34, 5 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)pentan-1-ol is sourced from PubChem (CID 114635606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).