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

C14H19N5O — CID 844484

IUPAC(E)-3-(1,5-dimethylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
SMILESCc1nn(C)c(C)c1NC(=O)/C=C/c1cnn(C)c1C
InChIInChI=1S/C14H19N5O/c1-9-14(11(3)19(5)17-9)16-13(20)7-6-12-8-15-18(4)10(12)2/h6-8H,1-5H3,(H,16,20)/b7-6+
InChIKeySDSNMXNXWIKGNQ-VOTSOKGWSA-N
MW273.34 g/mol
LogP1.73
Rot. Bonds3

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

(E)-3-(1,5-dimethylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide (PubChem CID 844484) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (E)-3-(1,5-dimethylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,5-dimethylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
PubChem CID844484
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(E)-3-(1,5-dimethylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
SMILESCc1nn(C)c(C)c1NC(=O)/C=C/c1cnn(C)c1C
InChIInChI=1S/C14H19N5O/c1-9-14(11(3)19(5)17-9)16-13(20)7-6-12-8-15-18(4)10(12)2/h6-8H,1-5H3,(H,16,20)/b7-6+
InChIKeySDSNMXNXWIKGNQ-VOTSOKGWSA-N
XLogP1.73
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.73
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-(1,5-dimethylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-3-(1,5-dimethylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide (CID 844484) is (E)-3-(1,5-dimethylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1,5-dimethylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(1,5-dimethylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide is Cc1nn(C)c(C)c1NC(=O)/C=C/c1cnn(C)c1C.
What is the InChIKey of (E)-3-(1,5-dimethylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is SDSNMXNXWIKGNQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-14(11(3)19(5)17-9)16-13(20)7-6-12-8-15-18(4)10(12)2/h6-8H,1-5H3,(H,16,20)/b7-6+.
What are the key properties of (E)-3-(1,5-dimethylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
(E)-3-(1,5-dimethylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 273.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,5-dimethylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 844484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).