2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide

C11H20N4O — CID 102805494

IUPAC2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide
SMILESCc1nn(C)cc1NC(C)C(=O)NC(C)C
InChIInChI=1S/C11H20N4O/c1-7(2)12-11(16)9(4)13-10-6-15(5)14-8(10)3/h6-7,9,13H,1-5H3,(H,12,16)
InChIKeyDKRVLTRSBZEAPJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.05
Rot. Bonds4

About 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide

2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 102805494) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide
PubChem CID102805494
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide
SMILESCc1nn(C)cc1NC(C)C(=O)NC(C)C
InChIInChI=1S/C11H20N4O/c1-7(2)12-11(16)9(4)13-10-6-15(5)14-8(10)3/h6-7,9,13H,1-5H3,(H,12,16)
InChIKeyDKRVLTRSBZEAPJ-UHFFFAOYSA-N
XLogP1.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid
CID 102805303
2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol
CID 130502699
N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine
CID 104955905
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 103796990
2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 102805652
(2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide
CID 103811522
[4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea
CID 104955781
2-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzene-1,4-diol
CID 102804046
2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid
CID 102803966
1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 102807086
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 103791188
N-cyclopropyl-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanamide
CID 104934563

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide (CID 102805494) is 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide is Cc1nn(C)cc1NC(C)C(=O)NC(C)C.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is DKRVLTRSBZEAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)12-11(16)9(4)13-10-6-15(5)14-8(10)3/h6-7,9,13H,1-5H3,(H,12,16).
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide?
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 224.31 g/mol, XLogP of 1.05, 4 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)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 102805494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).