6-(1-propylpyrazol-4-yl)oxyhexan-1-ol

C12H22N2O2 — CID 107705463

IUPAC6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
SMILESCCCn1cc(OCCCCCCO)cn1
InChIInChI=1S/C12H22N2O2/c1-2-7-14-11-12(10-13-14)16-9-6-4-3-5-8-15/h10-11,15H,2-9H2,1H3
InChIKeyRFFCWNNNVNJNHG-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.22
Rot. Bonds9

About 6-(1-propylpyrazol-4-yl)oxyhexan-1-ol

6-(1-propylpyrazol-4-yl)oxyhexan-1-ol (PubChem CID 107705463) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 6-(1-propylpyrazol-4-yl)oxyhexan-1-ol.

Molecular Properties

Compound Name6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
PubChem CID107705463
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
SMILESCCCn1cc(OCCCCCCO)cn1
InChIInChI=1S/C12H22N2O2/c1-2-7-14-11-12(10-13-14)16-9-6-4-3-5-8-15/h10-11,15H,2-9H2,1H3
InChIKeyRFFCWNNNVNJNHG-UHFFFAOYSA-N
XLogP2.22
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-propoxy-1-propylpyrazole
CID 116805185
N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine
CID 116803512
N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 114526853
1-ethyl-4-hexoxypyrazole
CID 116804751
N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine
CID 116803867
4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline
CID 114608509
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659
2-(1-pentylpyrazol-4-yl)oxyethanamine
CID 164576517
3-(4-methoxypyrazol-1-yl)propan-1-ol
CID 130511177
2-(1-propylpyrazol-4-yl)oxyacetonitrile
CID 116805140
4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole
CID 116804883
N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803809

Frequently Asked Questions

What is the IUPAC name of 6-(1-propylpyrazol-4-yl)oxyhexan-1-ol?
The IUPAC name of 6-(1-propylpyrazol-4-yl)oxyhexan-1-ol (CID 107705463) is 6-(1-propylpyrazol-4-yl)oxyhexan-1-ol.
What is the SMILES notation for 6-(1-propylpyrazol-4-yl)oxyhexan-1-ol?
The canonical SMILES for 6-(1-propylpyrazol-4-yl)oxyhexan-1-ol is CCCn1cc(OCCCCCCO)cn1.
What is the InChIKey of 6-(1-propylpyrazol-4-yl)oxyhexan-1-ol?
The InChIKey is RFFCWNNNVNJNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-7-14-11-12(10-13-14)16-9-6-4-3-5-8-15/h10-11,15H,2-9H2,1H3.
What are the key properties of 6-(1-propylpyrazol-4-yl)oxyhexan-1-ol?
6-(1-propylpyrazol-4-yl)oxyhexan-1-ol has a molecular weight of 226.32 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-propylpyrazol-4-yl)oxyhexan-1-ol is sourced from PubChem (CID 107705463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).