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

C15H21N5O — CID 844497

IUPAC(E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide
SMILESCCn1cc(/C=C/C(=O)Nc2c(C)nn(CC)c2C)cn1
InChIInChI=1S/C15H21N5O/c1-5-19-10-13(9-16-19)7-8-14(21)17-15-11(3)18-20(6-2)12(15)4/h7-10H,5-6H2,1-4H3,(H,17,21)/b8-7+
InChIKeyIBSPKTLDWJLSOS-BQYQJAHWSA-N
MW287.37 g/mol
LogP2.39
Rot. Bonds5

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

(E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide (PubChem CID 844497) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide
PubChem CID844497
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide
SMILESCCn1cc(/C=C/C(=O)Nc2c(C)nn(CC)c2C)cn1
InChIInChI=1S/C15H21N5O/c1-5-19-10-13(9-16-19)7-8-14(21)17-15-11(3)18-20(6-2)12(15)4/h7-10H,5-6H2,1-4H3,(H,17,21)/b8-7+
InChIKeyIBSPKTLDWJLSOS-BQYQJAHWSA-N
XLogP2.39
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.39
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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Related Compounds

(E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 844489
(E)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 844520
(E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 844533
(E)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 1001179
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyl-1H-pyrazol-4-yl)acrylamide
CID 1235959
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)acrylamide
CID 844536
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)acrylamide
CID 844508
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-(1-methyl-1H-pyrazol-4-yl)acrylamide
CID 844505
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)acrylamide
CID 844788
3-(1-ethyl-1H-pyrazol-4-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acrylamide
CID 1235974
3-(1,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)acrylamide
CID 844487
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazole-4-carboxamide
CID 43547009

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide (CID 844497) is (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide is CCn1cc(/C=C/C(=O)Nc2c(C)nn(CC)c2C)cn1.
What is the InChIKey of (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is IBSPKTLDWJLSOS-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H21N5O/c1-5-19-10-13(9-16-19)7-8-14(21)17-15-11(3)18-20(6-2)12(15)4/h7-10H,5-6H2,1-4H3,(H,17,21)/b8-7+.
What are the key properties of (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
(E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 287.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 844497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).