2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide

C14H26N4O — CID 112668993

IUPAC2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCc1cn(C)nc1C
InChIInChI=1S/C14H26N4O/c1-7-14(4,5)16-13(19)11(3)15-8-12-9-18(6)17-10(12)2/h9,11,15H,7-8H2,1-6H3,(H,16,19)
InChIKeyPVALCDUQTHWQDZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.51
Rot. Bonds6

About 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide

2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 112668993) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
PubChem CID112668993
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCc1cn(C)nc1C
InChIInChI=1S/C14H26N4O/c1-7-14(4,5)16-13(19)11(3)15-8-12-9-18(6)17-10(12)2/h9,11,15H,7-8H2,1-6H3,(H,16,19)
InChIKeyPVALCDUQTHWQDZ-UHFFFAOYSA-N
XLogP1.51
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide
CID 115767897
N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide
CID 114699824
N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 63295598
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine
CID 115767853
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 83089472
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide
CID 112738020
N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79779147
2-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
CID 112668685
N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide
CID 43116529
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-pentan-3-ylpropanamide
CID 115886870
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 109481950
2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 19533950

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide (CID 112668993) is 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)NCc1cn(C)nc1C.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is PVALCDUQTHWQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-7-14(4,5)16-13(19)11(3)15-8-12-9-18(6)17-10(12)2/h9,11,15H,7-8H2,1-6H3,(H,16,19).
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide?
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 266.39 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 112668993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).