(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide

C14H19N5O — CID 845141

IUPAC(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
SMILESCCn1ncc(/C=C/C(=O)NCc2cnn(C)c2)c1C
InChIInChI=1S/C14H19N5O/c1-4-19-11(2)13(9-17-19)5-6-14(20)15-7-12-8-16-18(3)10-12/h5-6,8-10H,4,7H2,1-3H3,(H,15,20)/b6-5+
InChIKeyWPJYYZOQADOGFA-AATRIKPKSA-N
MW273.34 g/mol
LogP1.27
Rot. Bonds5

About (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide

(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide (PubChem CID 845141) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
PubChem CID845141
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
SMILESCCn1ncc(/C=C/C(=O)NCc2cnn(C)c2)c1C
InChIInChI=1S/C14H19N5O/c1-4-19-11(2)13(9-17-19)5-6-14(20)15-7-12-8-16-18(3)10-12/h5-6,8-10H,4,7H2,1-3H3,(H,15,20)/b6-5+
InChIKeyWPJYYZOQADOGFA-AATRIKPKSA-N
XLogP1.27
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.27
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)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide (CID 845141) is (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide is CCn1ncc(/C=C/C(=O)NCc2cnn(C)c2)c1C.
What is the InChIKey of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide?
The InChIKey is WPJYYZOQADOGFA-AATRIKPKSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-19-11(2)13(9-17-19)5-6-14(20)15-7-12-8-16-18(3)10-12/h5-6,8-10H,4,7H2,1-3H3,(H,15,20)/b6-5+.
What are the key properties of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide?
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide has a molecular weight of 273.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 845141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).