N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C13H18N4O — CID 113430347

IUPACN-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCn1cc(C#N)c(NC(=O)C2C(C)(C)C2(C)C)n1
InChIInChI=1S/C13H18N4O/c1-12(2)9(13(12,3)4)11(18)15-10-8(6-14)7-17(5)16-10/h7,9H,1-5H3,(H,15,16,18)
InChIKeyLMOSXVJTRKWILF-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.91
Rot. Bonds2

About N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 113430347) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID113430347
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCn1cc(C#N)c(NC(=O)C2C(C)(C)C2(C)C)n1
InChIInChI=1S/C13H18N4O/c1-12(2)9(13(12,3)4)11(18)15-10-8(6-14)7-17(5)16-10/h7,9H,1-5H3,(H,15,16,18)
InChIKeyLMOSXVJTRKWILF-UHFFFAOYSA-N
XLogP1.91
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 112696251
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 104592766
N-(4-cyano-1-methylpyrazol-3-yl)-2-cyclobutylacetamide
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N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide
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N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 115672352
N-(4-cyano-1-methylpyrazol-3-yl)octanamide
CID 112696255
N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide
CID 115672371
2-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-3-methylbenzamide
CID 103857168
N-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide
CID 107938878
N-(4-cyano-1-methylpyrazol-3-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 104593061
N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide
CID 104593096

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 113430347) is N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is Cn1cc(C#N)c(NC(=O)C2C(C)(C)C2(C)C)n1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is LMOSXVJTRKWILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-12(2)9(13(12,3)4)11(18)15-10-8(6-14)7-17(5)16-10/h7,9H,1-5H3,(H,15,16,18).
What are the key properties of N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 113430347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).