4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide

C11H19N3O2 — CID 79192900

IUPAC4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
SMILESCc1nn(C)c(C)c1NC(=O)CCC(C)O
InChIInChI=1S/C11H19N3O2/c1-7(15)5-6-10(16)12-11-8(2)13-14(4)9(11)3/h7,15H,5-6H2,1-4H3,(H,12,16)
InChIKeyJRXAVGWQOAYCPS-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.14
Rot. Bonds4

About 4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide

4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide (PubChem CID 79192900) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
PubChem CID79192900
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
SMILESCc1nn(C)c(C)c1NC(=O)CCC(C)O
InChIInChI=1S/C11H19N3O2/c1-7(15)5-6-10(16)12-11-8(2)13-14(4)9(11)3/h7,15H,5-6H2,1-4H3,(H,12,16)
InChIKeyJRXAVGWQOAYCPS-UHFFFAOYSA-N
XLogP1.14
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
(2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid
CID 83193828
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]pentanoic acid
CID 43631836
4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 20969113
2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78912800
N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 83031321
2-amino-3-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]sulfanylpropanoic acid
CID 43385512
2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60686676
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196
2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43249575

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide?
The IUPAC name of 4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide (CID 79192900) is 4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide.
What is the SMILES notation for 4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide?
The canonical SMILES for 4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide is Cc1nn(C)c(C)c1NC(=O)CCC(C)O.
What is the InChIKey of 4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide?
The InChIKey is JRXAVGWQOAYCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(15)5-6-10(16)12-11-8(2)13-14(4)9(11)3/h7,15H,5-6H2,1-4H3,(H,12,16).
What are the key properties of 4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide?
4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide has a molecular weight of 225.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide is sourced from PubChem (CID 79192900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).