4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide

C10H17N3O2 — CID 79192619

IUPAC4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide
SMILESCC(C)n1cc(NC(=O)CCCO)cn1
InChIInChI=1S/C10H17N3O2/c1-8(2)13-7-9(6-11-13)12-10(15)4-3-5-14/h6-8,14H,3-5H2,1-2H3,(H,12,15)
InChIKeyDMXLZOXWMFALIK-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.17
Rot. Bonds5

About 4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide

4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide (PubChem CID 79192619) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide
PubChem CID79192619
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide
SMILESCC(C)n1cc(NC(=O)CCCO)cn1
InChIInChI=1S/C10H17N3O2/c1-8(2)13-7-9(6-11-13)12-10(15)4-3-5-14/h6-8,14H,3-5H2,1-2H3,(H,12,15)
InChIKeyDMXLZOXWMFALIK-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
CID 62904061
3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62904261
3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62903579
5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 62903409
N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide
CID 78920031
2-anilino-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 55132216
1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 110010595
3-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 86883901
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 78918579
1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111578737
2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904075

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide?
The IUPAC name of 4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide (CID 79192619) is 4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide?
The canonical SMILES for 4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide is CC(C)n1cc(NC(=O)CCCO)cn1.
What is the InChIKey of 4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide?
The InChIKey is DMXLZOXWMFALIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(2)13-7-9(6-11-13)12-10(15)4-3-5-14/h6-8,14H,3-5H2,1-2H3,(H,12,15).
What are the key properties of 4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide?
4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide has a molecular weight of 211.26 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide is sourced from PubChem (CID 79192619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).