N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide

C12H20N4O2 — CID 43546603

IUPACN-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCc1n[nH]c(C)c1NC(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C12H20N4O2/c1-7-10(8(2)16-15-7)14-9(17)6-13-11(18)12(3,4)5/h6H2,1-5H3,(H,13,18)(H,14,17)(H,15,16)
InChIKeyQSHMNFSMSCDGKT-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.13
Rot. Bonds3

About N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 43546603) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID43546603
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCc1n[nH]c(C)c1NC(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C12H20N4O2/c1-7-10(8(2)16-15-7)14-9(17)6-13-11(18)12(3,4)5/h6H2,1-5H3,(H,13,18)(H,14,17)(H,15,16)
InChIKeyQSHMNFSMSCDGKT-UHFFFAOYSA-N
XLogP1.13
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 43546705
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914872
4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-oxobutanoic acid
CID 16645428
2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 79810358
2-cyclobutyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 103706885
1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 43547022
5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide
CID 107908306
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-propan-2-yloxyacetamide
CID 112687011
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 79797260
4-cyclohexyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
CID 43399158
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(thian-4-yl)acetamide
CID 80709462
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
CID 113270770

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 43546603) is N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide is Cc1n[nH]c(C)c1NC(=O)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is QSHMNFSMSCDGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-7-10(8(2)16-15-7)14-9(17)6-13-11(18)12(3,4)5/h6H2,1-5H3,(H,13,18)(H,14,17)(H,15,16).
What are the key properties of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 252.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 43546603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).