N-(4-cyano-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide

C12H18N4O — CID 134086723

IUPACN-(4-cyano-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
SMILESCCc1nn(C)c(NC(=O)C(C)(C)C)c1C#N
InChIInChI=1S/C12H18N4O/c1-6-9-8(7-13)10(16(5)15-9)14-11(17)12(2,3)4/h6H2,1-5H3,(H,14,17)
InChIKeyAOJXLODTLLWHKZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.84
Rot. Bonds2

About N-(4-cyano-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide

N-(4-cyano-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide (PubChem CID 134086723) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(4-cyano-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-cyano-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
PubChem CID134086723
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-(4-cyano-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
SMILESCCc1nn(C)c(NC(=O)C(C)(C)C)c1C#N
InChIInChI=1S/C12H18N4O/c1-6-9-8(7-13)10(16(5)15-9)14-11(17)12(2,3)4/h6H2,1-5H3,(H,14,17)
InChIKeyAOJXLODTLLWHKZ-UHFFFAOYSA-N
XLogP1.84
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid
CID 63758168
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide
CID 106096716
3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoic acid
CID 63756960
N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide
CID 19433807
2-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475011
3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide
CID 55243652
4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]butanoic acid
CID 63756962
N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810446
ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110460718
4-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]benzoic acid
CID 63756783
N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide
CID 114105647

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-cyano-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide (CID 134086723) is N-(4-cyano-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-cyano-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-cyano-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide is CCc1nn(C)c(NC(=O)C(C)(C)C)c1C#N.
What is the InChIKey of N-(4-cyano-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide?
The InChIKey is AOJXLODTLLWHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-6-9-8(7-13)10(16(5)15-9)14-11(17)12(2,3)4/h6H2,1-5H3,(H,14,17).
What are the key properties of N-(4-cyano-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide?
N-(4-cyano-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 134086723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).