N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide

C10H17N3O2 — CID 81047310

IUPACN-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide
SMILESCC(CCO)NC(=O)C(C)n1cccn1
InChIInChI=1S/C10H17N3O2/c1-8(4-7-14)12-10(15)9(2)13-6-3-5-11-13/h3,5-6,8-9,14H,4,7H2,1-2H3,(H,12,15)
InChIKeyVGCWEINWROICQP-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.33
Rot. Bonds5

About N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide

N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide (PubChem CID 81047310) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide
PubChem CID81047310
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide
SMILESCC(CCO)NC(=O)C(C)n1cccn1
InChIInChI=1S/C10H17N3O2/c1-8(4-7-14)12-10(15)9(2)13-6-3-5-11-13/h3,5-6,8-9,14H,4,7H2,1-2H3,(H,12,15)
InChIKeyVGCWEINWROICQP-UHFFFAOYSA-N
XLogP0.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-2-pyrazol-1-ylpropanamide
CID 63732994
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide
CID 79252196
(2R)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-pyrazol-1-ylpropanamide
CID 95134476
N-(4-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 115283422
3-methyl-2-(2-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211034
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide
CID 103772679
(2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid
CID 107831630
2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid
CID 62676010
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
N-(2-amino-2-methylpropyl)-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119626027
N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide
CID 75372358
N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 47156459

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide (CID 81047310) is N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide is CC(CCO)NC(=O)C(C)n1cccn1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide?
The InChIKey is VGCWEINWROICQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(4-7-14)12-10(15)9(2)13-6-3-5-11-13/h3,5-6,8-9,14H,4,7H2,1-2H3,(H,12,15).
What are the key properties of N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide?
N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide has a molecular weight of 211.26 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 81047310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).