2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-propylpropane-1,3-diol

C12H22N2O2 — CID 79450371

IUPAC2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-propylpropane-1,3-diol
SMILESCCCC(CO)(CO)Cc1cc(C)nn1C
InChIInChI=1S/C12H22N2O2/c1-4-5-12(8-15,9-16)7-11-6-10(2)13-14(11)3/h6,15-16H,4-5,7-9H2,1-3H3
InChIKeyWMESLTFCDHRGSL-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.04
Rot. Bonds6

About 2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-propylpropane-1,3-diol

2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-propylpropane-1,3-diol (PubChem CID 79450371) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-propylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-propylpropane-1,3-diol
PubChem CID79450371
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-propylpropane-1,3-diol
SMILESCCCC(CO)(CO)Cc1cc(C)nn1C
InChIInChI=1S/C12H22N2O2/c1-4-5-12(8-15,9-16)7-11-6-10(2)13-14(11)3/h6,15-16H,4-5,7-9H2,1-3H3
InChIKeyWMESLTFCDHRGSL-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylbutan-1-ol
CID 66058323
5-[2-(chloromethyl)-2-methylpentyl]-1,3-dimethylpyrazole
CID 66034911
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 106506893
1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol
CID 106293010
2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 106506636
4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-2-ol
CID 66002859
3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,2-dimethylpropan-1-ol
CID 81218101
1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115811450
5-(chloromethyl)-1,3-dimethylpyrazole
CID 4961270
2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487225
1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312547
5-[2,2-bis(chloromethyl)-3-methylbutyl]-1,3-dimethylpyrazole
CID 79448244

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-propylpropane-1,3-diol?
The IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-propylpropane-1,3-diol (CID 79450371) is 2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-propylpropane-1,3-diol.
What is the SMILES notation for 2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-propylpropane-1,3-diol?
The canonical SMILES for 2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-propylpropane-1,3-diol is CCCC(CO)(CO)Cc1cc(C)nn1C.
What is the InChIKey of 2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-propylpropane-1,3-diol?
The InChIKey is WMESLTFCDHRGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-5-12(8-15,9-16)7-11-6-10(2)13-14(11)3/h6,15-16H,4-5,7-9H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-propylpropane-1,3-diol?
2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-propylpropane-1,3-diol has a molecular weight of 226.32 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-propylpropane-1,3-diol is sourced from PubChem (CID 79450371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).