N-(4-cyano-1-methylpyrazol-3-yl)-2-cyclobutylacetamide

C11H14N4O — CID 103163618

IUPACN-(4-cyano-1-methylpyrazol-3-yl)-2-cyclobutylacetamide
SMILESCn1cc(C#N)c(NC(=O)CC2CCC2)n1
InChIInChI=1S/C11H14N4O/c1-15-7-9(6-12)11(14-15)13-10(16)5-8-3-2-4-8/h7-8H,2-5H2,1H3,(H,13,14,16)
InChIKeyREVPPCCICIIAQU-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.42
Rot. Bonds3

About N-(4-cyano-1-methylpyrazol-3-yl)-2-cyclobutylacetamide

N-(4-cyano-1-methylpyrazol-3-yl)-2-cyclobutylacetamide (PubChem CID 103163618) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-3-yl)-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-3-yl)-2-cyclobutylacetamide
PubChem CID103163618
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-(4-cyano-1-methylpyrazol-3-yl)-2-cyclobutylacetamide
SMILESCn1cc(C#N)c(NC(=O)CC2CCC2)n1
InChIInChI=1S/C11H14N4O/c1-15-7-9(6-12)11(14-15)13-10(16)5-8-3-2-4-8/h7-8H,2-5H2,1H3,(H,13,14,16)
InChIKeyREVPPCCICIIAQU-UHFFFAOYSA-N
XLogP1.42
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-1-methylpyrazol-3-yl)cyclopentanecarboxamide
CID 112696251
ethyl 3-[(2-cyclobutylacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 84600432
N-(4-cyano-1-methylpyrazol-3-yl)heptanamide
CID 114752737
N-(4-cyano-1-methylpyrazol-3-yl)octanamide
CID 112696255
N-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide
CID 107938878
N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 113430347
N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 115672352
N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide
CID 104593170
2-cyclohexyl-N-(1-methylpyrazol-3-yl)acetamide
CID 51228914
5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 104593149
N-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide
CID 83137865
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-cyclobutylacetamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-2-cyclobutylacetamide (CID 103163618) is N-(4-cyano-1-methylpyrazol-3-yl)-2-cyclobutylacetamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-3-yl)-2-cyclobutylacetamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-3-yl)-2-cyclobutylacetamide is Cn1cc(C#N)c(NC(=O)CC2CCC2)n1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-3-yl)-2-cyclobutylacetamide?
The InChIKey is REVPPCCICIIAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15-7-9(6-12)11(14-15)13-10(16)5-8-3-2-4-8/h7-8H,2-5H2,1H3,(H,13,14,16).
What are the key properties of N-(4-cyano-1-methylpyrazol-3-yl)-2-cyclobutylacetamide?
N-(4-cyano-1-methylpyrazol-3-yl)-2-cyclobutylacetamide has a molecular weight of 218.26 g/mol, XLogP of 1.42, 3 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-cyclobutylacetamide is sourced from PubChem (CID 103163618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).