N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-pyrazol-1-ylpropanamide

C12H21N3O2 — CID 79386729

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-pyrazol-1-ylpropanamide
SMILESCCN(CC(C)(C)O)C(=O)CCn1cccn1
InChIInChI=1S/C12H21N3O2/c1-4-14(10-12(2,3)17)11(16)6-9-15-8-5-7-13-15/h5,7-8,17H,4,6,9-10H2,1-3H3
InChIKeyDOULKDIJDNHRDD-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.89
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-pyrazol-1-ylpropanamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-pyrazol-1-ylpropanamide (PubChem CID 79386729) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-pyrazol-1-ylpropanamide
PubChem CID79386729
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-pyrazol-1-ylpropanamide
SMILESCCN(CC(C)(C)O)C(=O)CCn1cccn1
InChIInChI=1S/C12H21N3O2/c1-4-14(10-12(2,3)17)11(16)6-9-15-8-5-7-13-15/h5,7-8,17H,4,6,9-10H2,1-3H3
InChIKeyDOULKDIJDNHRDD-UHFFFAOYSA-N
XLogP0.89
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(triazol-1-yl)propanamide
CID 79387824
2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid
CID 62817737
N-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide
CID 106741540
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 79386743
1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea
CID 115629319
3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79377535
(2R)-3,3-dimethyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 113353064
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 79381674
2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid
CID 62822178
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-oxopropanoic acid
CID 79385431
N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103721379
3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 111596500

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-pyrazol-1-ylpropanamide (CID 79386729) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-pyrazol-1-ylpropanamide is CCN(CC(C)(C)O)C(=O)CCn1cccn1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-pyrazol-1-ylpropanamide?
The InChIKey is DOULKDIJDNHRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-14(10-12(2,3)17)11(16)6-9-15-8-5-7-13-15/h5,7-8,17H,4,6,9-10H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-pyrazol-1-ylpropanamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-pyrazol-1-ylpropanamide has a molecular weight of 239.32 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 79386729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).