2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide

C12H22N4O — CID 112738020

IUPAC2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide
SMILESCc1nn(C)cc1CNC(C)(C(N)=O)C(C)C
InChIInChI=1S/C12H22N4O/c1-8(2)12(4,11(13)17)14-6-10-7-16(5)15-9(10)3/h7-8,14H,6H2,1-5H3,(H2,13,17)
InChIKeyPOCNTNUSVYMZMW-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.72
Rot. Bonds5

About 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide

2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide (PubChem CID 112738020) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide
PubChem CID112738020
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide
SMILESCc1nn(C)cc1CNC(C)(C(N)=O)C(C)C
InChIInChI=1S/C12H22N4O/c1-8(2)12(4,11(13)17)14-6-10-7-16(5)15-9(10)3/h7-8,14H,6H2,1-5H3,(H2,13,17)
InChIKeyPOCNTNUSVYMZMW-UHFFFAOYSA-N
XLogP0.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 83089472
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 109481950
3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-hydroxyimino-2-methylpropanamide
CID 113358295
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103851547
1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine
CID 112670222
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 112668993
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol
CID 109482003
(2R)-2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103955900
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate
CID 83088889
2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
CID 112668706

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide (CID 112738020) is 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide is Cc1nn(C)cc1CNC(C)(C(N)=O)C(C)C.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide?
The InChIKey is POCNTNUSVYMZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)12(4,11(13)17)14-6-10-7-16(5)15-9(10)3/h7-8,14H,6H2,1-5H3,(H2,13,17).
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide?
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide has a molecular weight of 238.33 g/mol, XLogP of 0.72, 5 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]-2,3-dimethylbutanamide is sourced from PubChem (CID 112738020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).