[5-(2,4,6-trimethylphenyl)pyrazolidin-3-yl]methanol

C13H20N2O — CID 77099139

IUPAC[5-(2,4,6-trimethylphenyl)pyrazolidin-3-yl]methanol
SMILESCc1cc(C)c(C2CC(CO)NN2)c(C)c1
InChIInChI=1S/C13H20N2O/c1-8-4-9(2)13(10(3)5-8)12-6-11(7-16)14-15-12/h4-5,11-12,14-16H,6-7H2,1-3H3
InChIKeyFTCPQDKJNZYFMB-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.51
Rot. Bonds2

About [5-(2,4,6-trimethylphenyl)pyrazolidin-3-yl]methanol

[5-(2,4,6-trimethylphenyl)pyrazolidin-3-yl]methanol (PubChem CID 77099139) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [5-(2,4,6-trimethylphenyl)pyrazolidin-3-yl]methanol.

Molecular Properties

Compound Name[5-(2,4,6-trimethylphenyl)pyrazolidin-3-yl]methanol
PubChem CID77099139
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[5-(2,4,6-trimethylphenyl)pyrazolidin-3-yl]methanol
SMILESCc1cc(C)c(C2CC(CO)NN2)c(C)c1
InChIInChI=1S/C13H20N2O/c1-8-4-9(2)13(10(3)5-8)12-6-11(7-16)14-15-12/h4-5,11-12,14-16H,6-7H2,1-3H3
InChIKeyFTCPQDKJNZYFMB-UHFFFAOYSA-N
XLogP1.51
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-(2,4,6-trimethylphenyl)pyrazolidine
CID 78292069
(2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride
CID 171197280
4-(2,4,6-trimethylphenyl)azetidin-2-one
CID 64664712
3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide
CID 66230082
2-ethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-ol
CID 81415590
1-methyl-3-(2,4,6-trimethylphenyl)piperazine
CID 82114107
2-methyl-5-(2,4,6-trimethylphenyl)morpholine
CID 82286014
[1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol
CID 63041822
aziridine;(2R,3S)-3-(2,4,6-trimethylphenyl)aziridine-2-carboxylic acid
CID 160806727
[5-(2,4-dimethylphenyl)piperidin-2-yl]methanol
CID 117000471
(2S,3R)-2-methyl-3-(2,4,6-trimethylphenyl)aziridine
CID 59591642
(5,7-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
CID 82276263

Frequently Asked Questions

What is the IUPAC name of [5-(2,4,6-trimethylphenyl)pyrazolidin-3-yl]methanol?
The IUPAC name of [5-(2,4,6-trimethylphenyl)pyrazolidin-3-yl]methanol (CID 77099139) is [5-(2,4,6-trimethylphenyl)pyrazolidin-3-yl]methanol.
What is the SMILES notation for [5-(2,4,6-trimethylphenyl)pyrazolidin-3-yl]methanol?
The canonical SMILES for [5-(2,4,6-trimethylphenyl)pyrazolidin-3-yl]methanol is Cc1cc(C)c(C2CC(CO)NN2)c(C)c1.
What is the InChIKey of [5-(2,4,6-trimethylphenyl)pyrazolidin-3-yl]methanol?
The InChIKey is FTCPQDKJNZYFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-8-4-9(2)13(10(3)5-8)12-6-11(7-16)14-15-12/h4-5,11-12,14-16H,6-7H2,1-3H3.
What are the key properties of [5-(2,4,6-trimethylphenyl)pyrazolidin-3-yl]methanol?
[5-(2,4,6-trimethylphenyl)pyrazolidin-3-yl]methanol has a molecular weight of 220.32 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4,6-trimethylphenyl)pyrazolidin-3-yl]methanol is sourced from PubChem (CID 77099139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).