(3-ethyl-1-propylpyrazol-5-yl)methanol

C9H16N2O — CID 122663118

IUPAC(3-ethyl-1-propylpyrazol-5-yl)methanol
SMILESCCCn1nc(CC)cc1CO
InChIInChI=1S/C9H16N2O/c1-3-5-11-9(7-12)6-8(4-2)10-11/h6,12H,3-5,7H2,1-2H3
InChIKeyUWVLKHVYPHSOQI-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.35
Rot. Bonds4

About (3-ethyl-1-propylpyrazol-5-yl)methanol

(3-ethyl-1-propylpyrazol-5-yl)methanol (PubChem CID 122663118) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (3-ethyl-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-1-propylpyrazol-5-yl)methanol
PubChem CID122663118
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(3-ethyl-1-propylpyrazol-5-yl)methanol
SMILESCCCn1nc(CC)cc1CO
InChIInChI=1S/C9H16N2O/c1-3-5-11-9(7-12)6-8(4-2)10-11/h6,12H,3-5,7H2,1-2H3
InChIKeyUWVLKHVYPHSOQI-UHFFFAOYSA-N
XLogP1.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-propylpyrazol-5-yl)methanol?
The IUPAC name of (3-ethyl-1-propylpyrazol-5-yl)methanol (CID 122663118) is (3-ethyl-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for (3-ethyl-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for (3-ethyl-1-propylpyrazol-5-yl)methanol is CCCn1nc(CC)cc1CO.
What is the InChIKey of (3-ethyl-1-propylpyrazol-5-yl)methanol?
The InChIKey is UWVLKHVYPHSOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-5-11-9(7-12)6-8(4-2)10-11/h6,12H,3-5,7H2,1-2H3.
What are the key properties of (3-ethyl-1-propylpyrazol-5-yl)methanol?
(3-ethyl-1-propylpyrazol-5-yl)methanol has a molecular weight of 168.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 122663118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).