N-(4-cyano-1-methylpyrazol-3-yl)heptanamide

C12H18N4O — CID 114752737

IUPACN-(4-cyano-1-methylpyrazol-3-yl)heptanamide
SMILESCCCCCCC(=O)Nc1nn(C)cc1C#N
InChIInChI=1S/C12H18N4O/c1-3-4-5-6-7-11(17)14-12-10(8-13)9-16(2)15-12/h9H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyJLVHUEUBEHWBIK-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.20
Rot. Bonds6

About N-(4-cyano-1-methylpyrazol-3-yl)heptanamide

N-(4-cyano-1-methylpyrazol-3-yl)heptanamide (PubChem CID 114752737) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-3-yl)heptanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-3-yl)heptanamide
PubChem CID114752737
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-(4-cyano-1-methylpyrazol-3-yl)heptanamide
SMILESCCCCCCC(=O)Nc1nn(C)cc1C#N
InChIInChI=1S/C12H18N4O/c1-3-4-5-6-7-11(17)14-12-10(8-13)9-16(2)15-12/h9H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyJLVHUEUBEHWBIK-UHFFFAOYSA-N
XLogP2.20
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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)-4-ethylbenzamide
CID 115672371
N-(4-cyano-1-methylpyrazol-3-yl)cyclopentanecarboxamide
CID 112696251
3-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-5-fluorobenzamide
CID 112696256
N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide
CID 104593170
N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 115672352
N-(4-cyano-1-methylpyrazol-3-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 104593061
N-(4-cyano-1-methylpyrazol-3-yl)-4-pentoxybenzenesulfonamide
CID 127266514
N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 113248158
1-(4-cyano-1-methylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea
CID 104593247
1-(1,3-dimethylpyrazol-4-yl)decane-1,3-dione
CID 65197297

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)heptanamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)heptanamide (CID 114752737) is N-(4-cyano-1-methylpyrazol-3-yl)heptanamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-3-yl)heptanamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-3-yl)heptanamide is CCCCCCC(=O)Nc1nn(C)cc1C#N.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-3-yl)heptanamide?
The InChIKey is JLVHUEUBEHWBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-4-5-6-7-11(17)14-12-10(8-13)9-16(2)15-12/h9H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of N-(4-cyano-1-methylpyrazol-3-yl)heptanamide?
N-(4-cyano-1-methylpyrazol-3-yl)heptanamide has a molecular weight of 234.30 g/mol, XLogP of 2.20, 6 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)heptanamide is sourced from PubChem (CID 114752737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).