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

C14H19N5O — CID 34995712

IUPAC(E)-3-(1,5-dimethylpyrazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide
SMILESCc1c(/C=C/C(=O)NCc2cnn(C)c2C)cnn1C
InChIInChI=1S/C14H19N5O/c1-10-12(8-16-18(10)3)5-6-14(20)15-7-13-9-17-19(4)11(13)2/h5-6,8-9H,7H2,1-4H3,(H,15,20)/b6-5+
InChIKeyVXPNOKADHOJXQX-AATRIKPKSA-N
MW273.34 g/mol
LogP1.10
Rot. Bonds4

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

(E)-3-(1,5-dimethylpyrazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide (PubChem CID 34995712) 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-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,5-dimethylpyrazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide
PubChem CID34995712
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(E)-3-(1,5-dimethylpyrazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide
SMILESCc1c(/C=C/C(=O)NCc2cnn(C)c2C)cnn1C
InChIInChI=1S/C14H19N5O/c1-10-12(8-16-18(10)3)5-6-14(20)15-7-13-9-17-19(4)11(13)2/h5-6,8-9H,7H2,1-4H3,(H,15,20)/b6-5+
InChIKeyVXPNOKADHOJXQX-AATRIKPKSA-N
XLogP1.10
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.10
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-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(1,5-dimethylpyrazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide (CID 34995712) is (E)-3-(1,5-dimethylpyrazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1,5-dimethylpyrazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1,5-dimethylpyrazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide is Cc1c(/C=C/C(=O)NCc2cnn(C)c2C)cnn1C.
What is the InChIKey of (E)-3-(1,5-dimethylpyrazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide?
The InChIKey is VXPNOKADHOJXQX-AATRIKPKSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-12(8-16-18(10)3)5-6-14(20)15-7-13-9-17-19(4)11(13)2/h5-6,8-9H,7H2,1-4H3,(H,15,20)/b6-5+.
What are the key properties of (E)-3-(1,5-dimethylpyrazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide?
(E)-3-(1,5-dimethylpyrazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide has a molecular weight of 273.34 g/mol, XLogP of 1.10, 4 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-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 34995712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).