(4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol

C11H17ClN2O2 — CID 114637933

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol
SMILESCC(C)n1ncc(Cl)c1C(O)C1CCCO1
InChIInChI=1S/C11H17ClN2O2/c1-7(2)14-10(8(12)6-13-14)11(15)9-4-3-5-16-9/h6-7,9,11,15H,3-5H2,1-2H3
InChIKeyKLHFREUYZOMVFN-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.33
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol (PubChem CID 114637933) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol
PubChem CID114637933
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol
SMILESCC(C)n1ncc(Cl)c1C(O)C1CCCO1
InChIInChI=1S/C11H17ClN2O2/c1-7(2)14-10(8(12)6-13-14)11(15)9-4-3-5-16-9/h6-7,9,11,15H,3-5H2,1-2H3
InChIKeyKLHFREUYZOMVFN-UHFFFAOYSA-N
XLogP2.33
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylcyclohexyl)methanol
CID 114644004
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol
CID 114644083
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]hydrazine
CID 105248212
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol
CID 114645295
4-chloro-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114433352
7-bicyclo[4.1.0]heptanyl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041966
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol
CID 114644578
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114654609
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)-hydroxymethyl]cycloheptan-1-ol
CID 103452008
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 105046718
(5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634295

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol (CID 114637933) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol is CC(C)n1ncc(Cl)c1C(O)C1CCCO1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol?
The InChIKey is KLHFREUYZOMVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-7(2)14-10(8(12)6-13-14)11(15)9-4-3-5-16-9/h6-7,9,11,15H,3-5H2,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol has a molecular weight of 244.72 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol is sourced from PubChem (CID 114637933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).