2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol

C10H18N2O2 — CID 79449988

IUPAC2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
SMILESCC(C)n1ccc(CC(CO)CO)n1
InChIInChI=1S/C10H18N2O2/c1-8(2)12-4-3-10(11-12)5-9(6-13)7-14/h3-4,8-9,13-14H,5-7H2,1-2H3
InChIKeyKSQPXZPCVOJKGM-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.61
Rot. Bonds5

About 2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol

2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol (PubChem CID 79449988) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
PubChem CID79449988
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
SMILESCC(C)n1ccc(CC(CO)CO)n1
InChIInChI=1S/C10H18N2O2/c1-8(2)12-4-3-10(11-12)5-9(6-13)7-14/h3-4,8-9,13-14H,5-7H2,1-2H3
InChIKeyKSQPXZPCVOJKGM-UHFFFAOYSA-N
XLogP0.61
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
CID 66057568
2-[(4-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
CID 66059261
2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
CID 66059687
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol
CID 64801344
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886
1-cyclohexyl-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770987
1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol
CID 103454908
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
N,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773528
1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 105103444
2-[(4-bromophenyl)methyl]-3-(1-butan-2-ylpyrazol-3-yl)propan-1-ol
CID 66060549

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol?
The IUPAC name of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol (CID 79449988) is 2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol?
The canonical SMILES for 2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol is CC(C)n1ccc(CC(CO)CO)n1.
What is the InChIKey of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol?
The InChIKey is KSQPXZPCVOJKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(2)12-4-3-10(11-12)5-9(6-13)7-14/h3-4,8-9,13-14H,5-7H2,1-2H3.
What are the key properties of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol?
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol has a molecular weight of 198.27 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol is sourced from PubChem (CID 79449988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).