(E)-4-(dimethylamino)-N-[2-methyl-3-(3-methylpyrazol-1-yl)propyl]but-2-enamide

C14H24N4O — CID 146098423

IUPAC(E)-4-(dimethylamino)-N-[2-methyl-3-(3-methylpyrazol-1-yl)propyl]but-2-enamide
SMILESCc1ccn(CC(C)CNC(=O)/C=C/CN(C)C)n1
InChIInChI=1S/C14H24N4O/c1-12(11-18-9-7-13(2)16-18)10-15-14(19)6-5-8-17(3)4/h5-7,9,12H,8,10-11H2,1-4H3,(H,15,19)/b6-5+
InChIKeyYSIFUFNNWSIDOM-AATRIKPKSA-N
MW264.37 g/mol
LogP1.06
Rot. Bonds7

About (E)-4-(dimethylamino)-N-[2-methyl-3-(3-methylpyrazol-1-yl)propyl]but-2-enamide

(E)-4-(dimethylamino)-N-[2-methyl-3-(3-methylpyrazol-1-yl)propyl]but-2-enamide (PubChem CID 146098423) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[2-methyl-3-(3-methylpyrazol-1-yl)propyl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[2-methyl-3-(3-methylpyrazol-1-yl)propyl]but-2-enamide
PubChem CID146098423
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(E)-4-(dimethylamino)-N-[2-methyl-3-(3-methylpyrazol-1-yl)propyl]but-2-enamide
SMILESCc1ccn(CC(C)CNC(=O)/C=C/CN(C)C)n1
InChIInChI=1S/C14H24N4O/c1-12(11-18-9-7-13(2)16-18)10-15-14(19)6-5-8-17(3)4/h5-7,9,12H,8,10-11H2,1-4H3,(H,15,19)/b6-5+
InChIKeyYSIFUFNNWSIDOM-AATRIKPKSA-N
XLogP1.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[2-methyl-3-(3-methylpyrazol-1-yl)propyl]but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[2-methyl-3-(3-methylpyrazol-1-yl)propyl]but-2-enamide (CID 146098423) is (E)-4-(dimethylamino)-N-[2-methyl-3-(3-methylpyrazol-1-yl)propyl]but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[2-methyl-3-(3-methylpyrazol-1-yl)propyl]but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[2-methyl-3-(3-methylpyrazol-1-yl)propyl]but-2-enamide is Cc1ccn(CC(C)CNC(=O)/C=C/CN(C)C)n1.
What is the InChIKey of (E)-4-(dimethylamino)-N-[2-methyl-3-(3-methylpyrazol-1-yl)propyl]but-2-enamide?
The InChIKey is YSIFUFNNWSIDOM-AATRIKPKSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12(11-18-9-7-13(2)16-18)10-15-14(19)6-5-8-17(3)4/h5-7,9,12H,8,10-11H2,1-4H3,(H,15,19)/b6-5+.
What are the key properties of (E)-4-(dimethylamino)-N-[2-methyl-3-(3-methylpyrazol-1-yl)propyl]but-2-enamide?
(E)-4-(dimethylamino)-N-[2-methyl-3-(3-methylpyrazol-1-yl)propyl]but-2-enamide has a molecular weight of 264.37 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[2-methyl-3-(3-methylpyrazol-1-yl)propyl]but-2-enamide is sourced from PubChem (CID 146098423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).