N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide

C11H19N3O2 — CID 115870093

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide
SMILESCC(C)(CCO)NC(=O)CCn1cccn1
InChIInChI=1S/C11H19N3O2/c1-11(2,5-9-15)13-10(16)4-8-14-7-3-6-12-14/h3,6-7,15H,4-5,8-9H2,1-2H3,(H,13,16)
InChIKeyNCRJMFVSYHWMBJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.55
Rot. Bonds6

About N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide

N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide (PubChem CID 115870093) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide
PubChem CID115870093
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide
SMILESCC(C)(CCO)NC(=O)CCn1cccn1
InChIInChI=1S/C11H19N3O2/c1-11(2,5-9-15)13-10(16)4-8-14-7-3-6-12-14/h3,6-7,15H,4-5,8-9H2,1-2H3,(H,13,16)
InChIKeyNCRJMFVSYHWMBJ-UHFFFAOYSA-N
XLogP0.55
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid
CID 119357108
3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid
CID 79795735
N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide
CID 104858205
(2R)-3,3-dimethyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 113353064
N-cyclopropyl-3-pyrazol-1-ylpropanamide
CID 60706933
N-tert-butyl-4-(3-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide
CID 138997895
N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide
CID 114383611
methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate
CID 43623190
3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide
CID 104580184
N-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide
CID 63193740
3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211036
N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide
CID 114390009

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide (CID 115870093) is N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide is CC(C)(CCO)NC(=O)CCn1cccn1.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide?
The InChIKey is NCRJMFVSYHWMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,5-9-15)13-10(16)4-8-14-7-3-6-12-14/h3,6-7,15H,4-5,8-9H2,1-2H3,(H,13,16).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide?
N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide has a molecular weight of 225.29 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 115870093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).