(E)-3-(5-indazol-2-yl-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid

C15H14N4O2 — CID 66859486

IUPAC(E)-3-(5-indazol-2-yl-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid
SMILESCc1nn(C)c(-n2cc3ccccc3n2)c1/C=C/C(=O)O
InChIInChI=1S/C15H14N4O2/c1-10-12(7-8-14(20)21)15(18(2)16-10)19-9-11-5-3-4-6-13(11)17-19/h3-9H,1-2H3,(H,20,21)/b8-7+
InChIKeyYZLZFYWJNNBNQX-BQYQJAHWSA-N
MW282.30 g/mol
LogP2.17
Rot. Bonds3

About (E)-3-(5-indazol-2-yl-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid

(E)-3-(5-indazol-2-yl-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid (PubChem CID 66859486) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is (E)-3-(5-indazol-2-yl-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(5-indazol-2-yl-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid
PubChem CID66859486
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name(E)-3-(5-indazol-2-yl-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid
SMILESCc1nn(C)c(-n2cc3ccccc3n2)c1/C=C/C(=O)O
InChIInChI=1S/C15H14N4O2/c1-10-12(7-8-14(20)21)15(18(2)16-10)19-9-11-5-3-4-6-13(11)17-19/h3-9H,1-2H3,(H,20,21)/b8-7+
InChIKeyYZLZFYWJNNBNQX-BQYQJAHWSA-N
XLogP2.17
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.17
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-(5-indazol-2-yl-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(5-indazol-2-yl-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid (CID 66859486) is (E)-3-(5-indazol-2-yl-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(5-indazol-2-yl-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(5-indazol-2-yl-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid is Cc1nn(C)c(-n2cc3ccccc3n2)c1/C=C/C(=O)O.
What is the InChIKey of (E)-3-(5-indazol-2-yl-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid?
The InChIKey is YZLZFYWJNNBNQX-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10-12(7-8-14(20)21)15(18(2)16-10)19-9-11-5-3-4-6-13(11)17-19/h3-9H,1-2H3,(H,20,21)/b8-7+.
What are the key properties of (E)-3-(5-indazol-2-yl-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid?
(E)-3-(5-indazol-2-yl-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-indazol-2-yl-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid is sourced from PubChem (CID 66859486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).