3-[2-[(5-tert-butylpyrazolidin-3-yl)methyl-ethylamino]-1-hydroxyethyl]phenol

C18H31N3O2 — CID 134127829

IUPAC3-[2-[(5-tert-butylpyrazolidin-3-yl)methyl-ethylamino]-1-hydroxyethyl]phenol
SMILESCCN(CC1CC(C(C)(C)C)NN1)CC(O)c1cccc(O)c1
InChIInChI=1S/C18H31N3O2/c1-5-21(11-14-10-17(20-19-14)18(2,3)4)12-16(23)13-7-6-8-15(22)9-13/h6-9,14,16-17,19-20,22-23H,5,10-12H2,1-4H3
InChIKeyCDMLUTFFRUNVEC-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.03
Rot. Bonds6

About 3-[2-[(5-tert-butylpyrazolidin-3-yl)methyl-ethylamino]-1-hydroxyethyl]phenol

3-[2-[(5-tert-butylpyrazolidin-3-yl)methyl-ethylamino]-1-hydroxyethyl]phenol (PubChem CID 134127829) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 3-[2-[(5-tert-butylpyrazolidin-3-yl)methyl-ethylamino]-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name3-[2-[(5-tert-butylpyrazolidin-3-yl)methyl-ethylamino]-1-hydroxyethyl]phenol
PubChem CID134127829
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name3-[2-[(5-tert-butylpyrazolidin-3-yl)methyl-ethylamino]-1-hydroxyethyl]phenol
SMILESCCN(CC1CC(C(C)(C)C)NN1)CC(O)c1cccc(O)c1
InChIInChI=1S/C18H31N3O2/c1-5-21(11-14-10-17(20-19-14)18(2,3)4)12-16(23)13-7-6-8-15(22)9-13/h6-9,14,16-17,19-20,22-23H,5,10-12H2,1-4H3
InChIKeyCDMLUTFFRUNVEC-UHFFFAOYSA-N
XLogP2.03
TPSA67.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(5-tert-butylpyrazolidin-3-yl)methyl-ethylamino]-1-hydroxyethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one
CID 124754856
2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 63954429
3-[(1S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-1-hydroxyethyl]phenol
CID 124752843
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid
CID 67420413
1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol
CID 111496501
1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 55055206
3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol
CID 71313919
1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 63954700
N,2-diethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 77088649
1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(1-propan-2-ylcyclopropyl)methyl]urea
CID 125448091
3-(1-hydroxy-2-methylsulfonylethyl)phenol
CID 115029574
(2S)-2-[[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylamino]butanedioic acid
CID 71428843

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-tert-butylpyrazolidin-3-yl)methyl-ethylamino]-1-hydroxyethyl]phenol?
The IUPAC name of 3-[2-[(5-tert-butylpyrazolidin-3-yl)methyl-ethylamino]-1-hydroxyethyl]phenol (CID 134127829) is 3-[2-[(5-tert-butylpyrazolidin-3-yl)methyl-ethylamino]-1-hydroxyethyl]phenol.
What is the SMILES notation for 3-[2-[(5-tert-butylpyrazolidin-3-yl)methyl-ethylamino]-1-hydroxyethyl]phenol?
The canonical SMILES for 3-[2-[(5-tert-butylpyrazolidin-3-yl)methyl-ethylamino]-1-hydroxyethyl]phenol is CCN(CC1CC(C(C)(C)C)NN1)CC(O)c1cccc(O)c1.
What is the InChIKey of 3-[2-[(5-tert-butylpyrazolidin-3-yl)methyl-ethylamino]-1-hydroxyethyl]phenol?
The InChIKey is CDMLUTFFRUNVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-5-21(11-14-10-17(20-19-14)18(2,3)4)12-16(23)13-7-6-8-15(22)9-13/h6-9,14,16-17,19-20,22-23H,5,10-12H2,1-4H3.
What are the key properties of 3-[2-[(5-tert-butylpyrazolidin-3-yl)methyl-ethylamino]-1-hydroxyethyl]phenol?
3-[2-[(5-tert-butylpyrazolidin-3-yl)methyl-ethylamino]-1-hydroxyethyl]phenol has a molecular weight of 321.47 g/mol, XLogP of 2.03, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-tert-butylpyrazolidin-3-yl)methyl-ethylamino]-1-hydroxyethyl]phenol is sourced from PubChem (CID 134127829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).