3-(3-propylpyrazol-1-yl)propan-1-ol

C9H16N2O — CID 90288358

IUPAC3-(3-propylpyrazol-1-yl)propan-1-ol
SMILESCCCc1ccn(CCCO)n1
InChIInChI=1S/C9H16N2O/c1-2-4-9-5-7-11(10-9)6-3-8-12/h5,7,12H,2-4,6,8H2,1H3
InChIKeyBZWAQZDNEJJEOY-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.22
Rot. Bonds5

About 3-(3-propylpyrazol-1-yl)propan-1-ol

3-(3-propylpyrazol-1-yl)propan-1-ol (PubChem CID 90288358) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(3-propylpyrazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-propylpyrazol-1-yl)propan-1-ol
PubChem CID90288358
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-(3-propylpyrazol-1-yl)propan-1-ol
SMILESCCCc1ccn(CCCO)n1
InChIInChI=1S/C9H16N2O/c1-2-4-9-5-7-11(10-9)6-3-8-12/h5,7,12H,2-4,6,8H2,1H3
InChIKeyBZWAQZDNEJJEOY-UHFFFAOYSA-N
XLogP1.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propylpyrazol-1-yl)propan-1-ol?
The IUPAC name of 3-(3-propylpyrazol-1-yl)propan-1-ol (CID 90288358) is 3-(3-propylpyrazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(3-propylpyrazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(3-propylpyrazol-1-yl)propan-1-ol is CCCc1ccn(CCCO)n1.
What is the InChIKey of 3-(3-propylpyrazol-1-yl)propan-1-ol?
The InChIKey is BZWAQZDNEJJEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-4-9-5-7-11(10-9)6-3-8-12/h5,7,12H,2-4,6,8H2,1H3.
What are the key properties of 3-(3-propylpyrazol-1-yl)propan-1-ol?
3-(3-propylpyrazol-1-yl)propan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propylpyrazol-1-yl)propan-1-ol is sourced from PubChem (CID 90288358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).