4-propoxy-1-propylpyrazole

C9H16N2O — CID 116805185

IUPAC4-propoxy-1-propylpyrazole
SMILESCCCOc1cnn(CCC)c1
InChIInChI=1S/C9H16N2O/c1-3-5-11-8-9(7-10-11)12-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyOACGUKSNVXSXQA-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.08
Rot. Bonds5

About 4-propoxy-1-propylpyrazole

4-propoxy-1-propylpyrazole (PubChem CID 116805185) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-propoxy-1-propylpyrazole.

Molecular Properties

Compound Name4-propoxy-1-propylpyrazole
PubChem CID116805185
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-propoxy-1-propylpyrazole
SMILESCCCOc1cnn(CCC)c1
InChIInChI=1S/C9H16N2O/c1-3-5-11-8-9(7-10-11)12-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyOACGUKSNVXSXQA-UHFFFAOYSA-N
XLogP2.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
CID 107705463
N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 114526853
N-[2-(4-propoxypyrazol-1-yl)ethyl]aniline
CID 114274287
2-(1-propylpyrazol-4-yl)oxyacetonitrile
CID 116805140
4-(5-chloro-3-methylpentoxy)-1-propylpyrazole
CID 116800930
N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine
CID 116803512
N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine
CID 116803867
4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline
CID 114608509
2-(1-pentylpyrazol-4-yl)oxyethanamine
CID 164576517
N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803809
3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole
CID 116805089
2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 116803544

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-1-propylpyrazole?
The IUPAC name of 4-propoxy-1-propylpyrazole (CID 116805185) is 4-propoxy-1-propylpyrazole.
What is the SMILES notation for 4-propoxy-1-propylpyrazole?
The canonical SMILES for 4-propoxy-1-propylpyrazole is CCCOc1cnn(CCC)c1.
What is the InChIKey of 4-propoxy-1-propylpyrazole?
The InChIKey is OACGUKSNVXSXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-5-11-8-9(7-10-11)12-6-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-propoxy-1-propylpyrazole?
4-propoxy-1-propylpyrazole has a molecular weight of 168.24 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-1-propylpyrazole is sourced from PubChem (CID 116805185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).