2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide

C13H18N4O2 — CID 43695320

IUPAC2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide
SMILESCC(CCc1ccco1)Nc1cnn(CC(N)=O)c1
InChIInChI=1S/C13H18N4O2/c1-10(4-5-12-3-2-6-19-12)16-11-7-15-17(8-11)9-13(14)18/h2-3,6-8,10,16H,4-5,9H2,1H3,(H2,14,18)
InChIKeyFQTRHQXGGWUCEI-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.39
Rot. Bonds7

About 2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide

2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide (PubChem CID 43695320) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide
PubChem CID43695320
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide
SMILESCC(CCc1ccco1)Nc1cnn(CC(N)=O)c1
InChIInChI=1S/C13H18N4O2/c1-10(4-5-12-3-2-6-19-12)16-11-7-15-17(8-11)9-13(14)18/h2-3,6-8,10,16H,4-5,9H2,1H3,(H2,14,18)
InChIKeyFQTRHQXGGWUCEI-UHFFFAOYSA-N
XLogP1.39
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide
CID 43695034
2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 43783600
2-[4-(furan-2-yl)butan-2-ylamino]oxyacetamide
CID 112673041
1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone
CID 115576850
2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485713
2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide
CID 43783563
1-benzyl-N-[1-(furan-2-yl)propan-2-yl]pyrazol-4-amine
CID 63086183
4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide
CID 60704722
2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxamide
CID 60726854
4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide
CID 43478817
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide (CID 43695320) is 2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide is CC(CCc1ccco1)Nc1cnn(CC(N)=O)c1.
What is the InChIKey of 2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide?
The InChIKey is FQTRHQXGGWUCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-10(4-5-12-3-2-6-19-12)16-11-7-15-17(8-11)9-13(14)18/h2-3,6-8,10,16H,4-5,9H2,1H3,(H2,14,18).
What are the key properties of 2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide?
2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide has a molecular weight of 262.31 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 43695320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).