4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide

C8H13N3O2 — CID 104621856

IUPAC4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide
SMILESCc1cn[nH]c1NC(=O)CCCO
InChIInChI=1S/C8H13N3O2/c1-6-5-9-11-8(6)10-7(13)3-2-4-12/h5,12H,2-4H2,1H3,(H2,9,10,11,13)
InChIKeyZLPIMISFVUEOFO-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.43
Rot. Bonds4

About 4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide

4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide (PubChem CID 104621856) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide
PubChem CID104621856
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide
SMILESCc1cn[nH]c1NC(=O)CCCO
InChIInChI=1S/C8H13N3O2/c1-6-5-9-11-8(6)10-7(13)3-2-4-12/h5,12H,2-4H2,1H3,(H2,9,10,11,13)
InChIKeyZLPIMISFVUEOFO-UHFFFAOYSA-N
XLogP0.43
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide?
The IUPAC name of 4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide (CID 104621856) is 4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide?
The canonical SMILES for 4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide is Cc1cn[nH]c1NC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide?
The InChIKey is ZLPIMISFVUEOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-5-9-11-8(6)10-7(13)3-2-4-12/h5,12H,2-4H2,1H3,(H2,9,10,11,13).
What are the key properties of 4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide?
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide has a molecular weight of 183.21 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide is sourced from PubChem (CID 104621856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).