(E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methylphenyl)prop-2-enamide

C15H17N3O — CID 43546569

IUPAC(E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C15H17N3O/c1-10-6-4-5-7-13(10)8-9-14(19)16-15-11(2)17-18-12(15)3/h4-9H,1-3H3,(H,16,19)(H,17,18)/b9-8+
InChIKeyRORSCOOKZQUJMI-CMDGGOBGSA-N
MW255.32 g/mol
LogP2.99
Rot. Bonds3

About (E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methylphenyl)prop-2-enamide

(E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methylphenyl)prop-2-enamide (PubChem CID 43546569) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methylphenyl)prop-2-enamide
PubChem CID43546569
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C15H17N3O/c1-10-6-4-5-7-13(10)8-9-14(19)16-15-11(2)17-18-12(15)3/h4-9H,1-3H3,(H,16,19)(H,17,18)/b9-8+
InChIKeyRORSCOOKZQUJMI-CMDGGOBGSA-N
XLogP2.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methylphenyl)prop-2-enamide (CID 43546569) is (E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methylphenyl)prop-2-enamide is Cc1ccccc1/C=C/C(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of (E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is RORSCOOKZQUJMI-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-6-4-5-7-13(10)8-9-14(19)16-15-11(2)17-18-12(15)3/h4-9H,1-3H3,(H,16,19)(H,17,18)/b9-8+.
What are the key properties of (E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methylphenyl)prop-2-enamide?
(E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 255.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 43546569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).