3-[(1-tert-butylpyrazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide

C13H23N5O2 — CID 84591885

IUPAC3-[(1-tert-butylpyrazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)Nc1cnn(C(C)(C)C)c1
InChIInChI=1S/C13H23N5O2/c1-13(2,3)18-9-10(8-15-18)16-12(20)14-7-6-11(19)17(4)5/h8-9H,6-7H2,1-5H3,(H2,14,16,20)
InChIKeyGYWFSQHQDJXZQT-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.24
Rot. Bonds4

About 3-[(1-tert-butylpyrazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide

3-[(1-tert-butylpyrazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide (PubChem CID 84591885) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(1-tert-butylpyrazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(1-tert-butylpyrazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide
PubChem CID84591885
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name3-[(1-tert-butylpyrazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)Nc1cnn(C(C)(C)C)c1
InChIInChI=1S/C13H23N5O2/c1-13(2,3)18-9-10(8-15-18)16-12(20)14-7-6-11(19)17(4)5/h8-9H,6-7H2,1-5H3,(H2,14,16,20)
InChIKeyGYWFSQHQDJXZQT-UHFFFAOYSA-N
XLogP1.24
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-tert-butylpyrazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(1-tert-butylpyrazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide (CID 84591885) is 3-[(1-tert-butylpyrazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(1-tert-butylpyrazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(1-tert-butylpyrazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNC(=O)Nc1cnn(C(C)(C)C)c1.
What is the InChIKey of 3-[(1-tert-butylpyrazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide?
The InChIKey is GYWFSQHQDJXZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-13(2,3)18-9-10(8-15-18)16-12(20)14-7-6-11(19)17(4)5/h8-9H,6-7H2,1-5H3,(H2,14,16,20).
What are the key properties of 3-[(1-tert-butylpyrazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide?
3-[(1-tert-butylpyrazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide has a molecular weight of 281.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-tert-butylpyrazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 84591885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).