2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol

C13H22N2O2 — CID 115837387

IUPAC2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol
SMILESCOc1cnn(C(C)C)c1C(O)C(C)C1CC1
InChIInChI=1S/C13H22N2O2/c1-8(2)15-12(11(17-4)7-14-15)13(16)9(3)10-5-6-10/h7-10,13,16H,5-6H2,1-4H3
InChIKeyKEGBSCUBPWNTIQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.55
Rot. Bonds5

About 2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol

2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol (PubChem CID 115837387) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol
PubChem CID115837387
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol
SMILESCOc1cnn(C(C)C)c1C(O)C(C)C1CC1
InChIInChI=1S/C13H22N2O2/c1-8(2)15-12(11(17-4)7-14-15)13(16)9(3)10-5-6-10/h7-10,13,16H,5-6H2,1-4H3
InChIKeyKEGBSCUBPWNTIQ-UHFFFAOYSA-N
XLogP2.55
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114643994
2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 114661294
2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 114661308
2-cyclopropyl-2-hydroxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 103455882
(1,1-dioxothiolan-3-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114659408
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol
CID 115837343
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
CID 114643665
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol
CID 114635721
(4-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634045
N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 114661336
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methyloxan-2-yl)methanol
CID 114645058
2-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-ol
CID 114645769

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol?
The IUPAC name of 2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol (CID 115837387) is 2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol is COc1cnn(C(C)C)c1C(O)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol?
The InChIKey is KEGBSCUBPWNTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8(2)15-12(11(17-4)7-14-15)13(16)9(3)10-5-6-10/h7-10,13,16H,5-6H2,1-4H3.
What are the key properties of 2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol?
2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol is sourced from PubChem (CID 115837387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).