(E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide

C20H23N5O — CID 844489

IUPAC(E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide
SMILESCCn1cc(/C=C/C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)cn1
InChIInChI=1S/C20H23N5O/c1-4-24-13-18(12-21-24)10-11-19(26)22-20-15(2)23-25(16(20)3)14-17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3,(H,22,26)/b11-10+
InChIKeyUXSWFAMXNUJPOA-ZHACJKMWSA-N
MW349.44 g/mol
LogP3.42
Rot. Bonds6

About (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide

(E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide (PubChem CID 844489) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide
PubChem CID844489
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide
SMILESCCn1cc(/C=C/C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)cn1
InChIInChI=1S/C20H23N5O/c1-4-24-13-18(12-21-24)10-11-19(26)22-20-15(2)23-25(16(20)3)14-17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3,(H,22,26)/b11-10+
InChIKeyUXSWFAMXNUJPOA-ZHACJKMWSA-N
XLogP3.42
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide (CID 844489) is (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide is CCn1cc(/C=C/C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)cn1.
What is the InChIKey of (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is UXSWFAMXNUJPOA-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H23N5O/c1-4-24-13-18(12-21-24)10-11-19(26)22-20-15(2)23-25(16(20)3)14-17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3,(H,22,26)/b11-10+.
What are the key properties of (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
(E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 349.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 844489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).