N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide

C16H25N3O3 — CID 134068362

IUPACN-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide
SMILESCC1CC(C(=O)NCC(O)c2cccc(OC(C)C)c2)NN1
InChIInChI=1S/C16H25N3O3/c1-10(2)22-13-6-4-5-12(8-13)15(20)9-17-16(21)14-7-11(3)18-19-14/h4-6,8,10-11,14-15,18-20H,7,9H2,1-3H3,(H,17,21)
InChIKeyQEJQGJGMLRPIRG-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.88
Rot. Bonds6

About N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide

N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide (PubChem CID 134068362) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide
PubChem CID134068362
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide
SMILESCC1CC(C(=O)NCC(O)c2cccc(OC(C)C)c2)NN1
InChIInChI=1S/C16H25N3O3/c1-10(2)22-13-6-4-5-12(8-13)15(20)9-17-16(21)14-7-11(3)18-19-14/h4-6,8,10-11,14-15,18-20H,7,9H2,1-3H3,(H,17,21)
InChIKeyQEJQGJGMLRPIRG-UHFFFAOYSA-N
XLogP0.88
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119328584
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119328583
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450793
(2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120933677
2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 119792549
1-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119792524
2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 111423733
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 111423701
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110020967
2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 111755622
2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide
CID 119792571
4-[[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023484

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide (CID 134068362) is N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide is CC1CC(C(=O)NCC(O)c2cccc(OC(C)C)c2)NN1.
What is the InChIKey of N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide?
The InChIKey is QEJQGJGMLRPIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-10(2)22-13-6-4-5-12(8-13)15(20)9-17-16(21)14-7-11(3)18-19-14/h4-6,8,10-11,14-15,18-20H,7,9H2,1-3H3,(H,17,21).
What are the key properties of N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide?
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 0.88, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide is sourced from PubChem (CID 134068362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).