4-(3-aminopyrazol-1-yl)-N,N-dimethylbutanamide

C9H16N4O — CID 54593862

IUPAC4-(3-aminopyrazol-1-yl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1ccc(N)n1
InChIInChI=1S/C9H16N4O/c1-12(2)9(14)4-3-6-13-7-5-8(10)11-13/h5,7H,3-4,6H2,1-2H3,(H2,10,11)
InChIKeyPFWCDVKDFGCVGU-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.33
Rot. Bonds4

About 4-(3-aminopyrazol-1-yl)-N,N-dimethylbutanamide

4-(3-aminopyrazol-1-yl)-N,N-dimethylbutanamide (PubChem CID 54593862) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(3-aminopyrazol-1-yl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(3-aminopyrazol-1-yl)-N,N-dimethylbutanamide
PubChem CID54593862
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-(3-aminopyrazol-1-yl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1ccc(N)n1
InChIInChI=1S/C9H16N4O/c1-12(2)9(14)4-3-6-13-7-5-8(10)11-13/h5,7H,3-4,6H2,1-2H3,(H2,10,11)
InChIKeyPFWCDVKDFGCVGU-UHFFFAOYSA-N
XLogP0.33
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrazol-1-yl)-N,N-dimethylbutanamide?
The IUPAC name of 4-(3-aminopyrazol-1-yl)-N,N-dimethylbutanamide (CID 54593862) is 4-(3-aminopyrazol-1-yl)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(3-aminopyrazol-1-yl)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(3-aminopyrazol-1-yl)-N,N-dimethylbutanamide is CN(C)C(=O)CCCn1ccc(N)n1.
What is the InChIKey of 4-(3-aminopyrazol-1-yl)-N,N-dimethylbutanamide?
The InChIKey is PFWCDVKDFGCVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-12(2)9(14)4-3-6-13-7-5-8(10)11-13/h5,7H,3-4,6H2,1-2H3,(H2,10,11).
What are the key properties of 4-(3-aminopyrazol-1-yl)-N,N-dimethylbutanamide?
4-(3-aminopyrazol-1-yl)-N,N-dimethylbutanamide has a molecular weight of 196.25 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrazol-1-yl)-N,N-dimethylbutanamide is sourced from PubChem (CID 54593862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).