4-(2-propylpyrazol-3-yl)heptan-4-ol

C13H24N2O — CID 114865852

IUPAC4-(2-propylpyrazol-3-yl)heptan-4-ol
SMILESCCCn1nccc1C(O)(CCC)CCC
InChIInChI=1S/C13H24N2O/c1-4-8-13(16,9-5-2)12-7-10-14-15(12)11-6-3/h7,10,16H,4-6,8-9,11H2,1-3H3
InChIKeyZXYSDNYJGQKKBQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.08
Rot. Bonds7

About 4-(2-propylpyrazol-3-yl)heptan-4-ol

4-(2-propylpyrazol-3-yl)heptan-4-ol (PubChem CID 114865852) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-(2-propylpyrazol-3-yl)heptan-4-ol.

Molecular Properties

Compound Name4-(2-propylpyrazol-3-yl)heptan-4-ol
PubChem CID114865852
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-(2-propylpyrazol-3-yl)heptan-4-ol
SMILESCCCn1nccc1C(O)(CCC)CCC
InChIInChI=1S/C13H24N2O/c1-4-8-13(16,9-5-2)12-7-10-14-15(12)11-6-3/h7,10,16H,4-6,8-9,11H2,1-3H3
InChIKeyZXYSDNYJGQKKBQ-UHFFFAOYSA-N
XLogP3.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propylpyrazol-3-yl)heptan-4-ol?
The IUPAC name of 4-(2-propylpyrazol-3-yl)heptan-4-ol (CID 114865852) is 4-(2-propylpyrazol-3-yl)heptan-4-ol.
What is the SMILES notation for 4-(2-propylpyrazol-3-yl)heptan-4-ol?
The canonical SMILES for 4-(2-propylpyrazol-3-yl)heptan-4-ol is CCCn1nccc1C(O)(CCC)CCC.
What is the InChIKey of 4-(2-propylpyrazol-3-yl)heptan-4-ol?
The InChIKey is ZXYSDNYJGQKKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-8-13(16,9-5-2)12-7-10-14-15(12)11-6-3/h7,10,16H,4-6,8-9,11H2,1-3H3.
What are the key properties of 4-(2-propylpyrazol-3-yl)heptan-4-ol?
4-(2-propylpyrazol-3-yl)heptan-4-ol has a molecular weight of 224.35 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propylpyrazol-3-yl)heptan-4-ol is sourced from PubChem (CID 114865852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).