2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol

C12H22N2O2 — CID 79450356

IUPAC2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol
SMILESCCc1cc(CC(C)(CO)CO)n(CC)n1
InChIInChI=1S/C12H22N2O2/c1-4-10-6-11(14(5-2)13-10)7-12(3,8-15)9-16/h6,15-16H,4-5,7-9H2,1-3H3
InChIKeyAFTQHFUFXQEFLE-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.00
Rot. Bonds6

About 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol

2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol (PubChem CID 79450356) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol
PubChem CID79450356
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol
SMILESCCc1cc(CC(C)(CO)CO)n(CC)n1
InChIInChI=1S/C12H22N2O2/c1-4-10-6-11(14(5-2)13-10)7-12(3,8-15)9-16/h6,15-16H,4-5,7-9H2,1-3H3
InChIKeyAFTQHFUFXQEFLE-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852272
3-amino-2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899899
5-[2,2-bis(bromomethyl)butyl]-1,3-diethylpyrazole
CID 79455390
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566711
2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol
CID 114794994
2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid
CID 83147790
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832715
2-[(1,3-diethylpyrazol-5-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83150695
1-(1,3-diethylpyrazol-5-yl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66001476
1-(1,3-diethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833280
1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
CID 103449476

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol (CID 79450356) is 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol is CCc1cc(CC(C)(CO)CO)n(CC)n1.
What is the InChIKey of 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol?
The InChIKey is AFTQHFUFXQEFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-10-6-11(14(5-2)13-10)7-12(3,8-15)9-16/h6,15-16H,4-5,7-9H2,1-3H3.
What are the key properties of 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol?
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol has a molecular weight of 226.32 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 79450356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).