1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol

C12H22N2O2 — CID 103454908

IUPAC1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol
SMILESCCCC(O)C(O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C12H22N2O2/c1-4-5-11(15)12(16)8-10-6-7-14(13-10)9(2)3/h6-7,9,11-12,15-16H,4-5,8H2,1-3H3
InChIKeyDFEZFTRBEJUOAQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.53
Rot. Bonds6

About 1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol

1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol (PubChem CID 103454908) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol
PubChem CID103454908
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol
SMILESCCCC(O)C(O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C12H22N2O2/c1-4-5-11(15)12(16)8-10-6-7-14(13-10)9(2)3/h6-7,9,11-12,15-16H,4-5,8H2,1-3H3
InChIKeyDFEZFTRBEJUOAQ-UHFFFAOYSA-N
XLogP1.53
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
CID 64772577
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
1-(1-propan-2-ylpyrazol-3-yl)nonan-2-ol
CID 64770989
1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
CID 115808024
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79449988
N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine
CID 64773206
N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771079
1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine
CID 64773654
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol
CID 116711297
1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 105103444
N-[(1-propan-2-ylpyrazol-3-yl)methyl]hex-1-yn-3-amine
CID 106229761

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol?
The IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol (CID 103454908) is 1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol.
What is the SMILES notation for 1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol?
The canonical SMILES for 1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol is CCCC(O)C(O)Cc1ccn(C(C)C)n1.
What is the InChIKey of 1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol?
The InChIKey is DFEZFTRBEJUOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-5-11(15)12(16)8-10-6-7-14(13-10)9(2)3/h6-7,9,11-12,15-16H,4-5,8H2,1-3H3.
What are the key properties of 1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol?
1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol has a molecular weight of 226.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol is sourced from PubChem (CID 103454908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).