3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide

C14H18N4O2 — CID 115426240

IUPAC3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
SMILESCC(C)(CN)C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C14H18N4O2/c1-14(2,8-15)13(20)16-10-5-3-9(4-6-10)11-7-12(19)18-17-11/h3-7H,8,15H2,1-2H3,(H,16,20)(H2,17,18,19)
InChIKeyCYDTXUKQYWUZFG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.29
Rot. Bonds4

About 3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide

3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide (PubChem CID 115426240) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
PubChem CID115426240
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
SMILESCC(C)(CN)C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C14H18N4O2/c1-14(2,8-15)13(20)16-10-5-3-9(4-6-10)11-7-12(19)18-17-11/h3-7H,8,15H2,1-2H3,(H,16,20)(H2,17,18,19)
InChIKeyCYDTXUKQYWUZFG-UHFFFAOYSA-N
XLogP1.29
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 81470210
(2S)-2-amino-3,3-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
CID 61180784
N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
CID 60756455
4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
CID 43706888
4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
CID 80543463
5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide
CID 82013599
methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
CID 81490095
4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
CID 79201501
5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide
CID 82850765
3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide
CID 113307498
3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide
CID 107701407
3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119705445

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide (CID 115426240) is 3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide is CC(C)(CN)C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1.
What is the InChIKey of 3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide?
The InChIKey is CYDTXUKQYWUZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-14(2,8-15)13(20)16-10-5-3-9(4-6-10)11-7-12(19)18-17-11/h3-7H,8,15H2,1-2H3,(H,16,20)(H2,17,18,19).
What are the key properties of 3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide?
3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 115426240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).