2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclopropylethanol

C11H18ClN3O — CID 114637796

IUPAC2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclopropylethanol
SMILESCCCn1ncc(Cl)c1C(O)(CN)C1CC1
InChIInChI=1S/C11H18ClN3O/c1-2-5-15-10(9(12)6-14-15)11(16,7-13)8-3-4-8/h6,8,16H,2-5,7,13H2,1H3
InChIKeySOCHVMOJWYBTKD-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.50
Rot. Bonds5

About 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclopropylethanol

2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclopropylethanol (PubChem CID 114637796) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclopropylethanol
PubChem CID114637796
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclopropylethanol
SMILESCCCn1ncc(Cl)c1C(O)(CN)C1CC1
InChIInChI=1S/C11H18ClN3O/c1-2-5-15-10(9(12)6-14-15)11(16,7-13)8-3-4-8/h6,8,16H,2-5,7,13H2,1H3
InChIKeySOCHVMOJWYBTKD-UHFFFAOYSA-N
XLogP1.50
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclopropylethanol?
The IUPAC name of 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclopropylethanol (CID 114637796) is 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclopropylethanol.
What is the SMILES notation for 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclopropylethanol?
The canonical SMILES for 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclopropylethanol is CCCn1ncc(Cl)c1C(O)(CN)C1CC1.
What is the InChIKey of 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclopropylethanol?
The InChIKey is SOCHVMOJWYBTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-2-5-15-10(9(12)6-14-15)11(16,7-13)8-3-4-8/h6,8,16H,2-5,7,13H2,1H3.
What are the key properties of 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclopropylethanol?
2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclopropylethanol has a molecular weight of 243.74 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclopropylethanol is sourced from PubChem (CID 114637796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).