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

C16H23N5O — CID 844788

IUPAC(E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
SMILESCCn1ncc(/C=C/C(=O)Nc2c(C)nn(CC)c2C)c1C
InChIInChI=1S/C16H23N5O/c1-6-20-12(4)14(10-17-20)8-9-15(22)18-16-11(3)19-21(7-2)13(16)5/h8-10H,6-7H2,1-5H3,(H,18,22)/b9-8+
InChIKeyMMOSVABMXMZURD-CMDGGOBGSA-N
MW301.39 g/mol
LogP2.70
Rot. Bonds5

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

(E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide (PubChem CID 844788) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
PubChem CID844788
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
SMILESCCn1ncc(/C=C/C(=O)Nc2c(C)nn(CC)c2C)c1C
InChIInChI=1S/C16H23N5O/c1-6-20-12(4)14(10-17-20)8-9-15(22)18-16-11(3)19-21(7-2)13(16)5/h8-10H,6-7H2,1-5H3,(H,18,22)/b9-8+
InChIKeyMMOSVABMXMZURD-CMDGGOBGSA-N
XLogP2.70
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide with MolForge

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Related Compounds

N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-(1-ethyl-1H-pyrazol-4-yl)acrylamide
CID 844489
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-3-(1-methyl-1H-pyrazol-4-yl)acrylamide
CID 844520
(E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 844533
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-3-(1-ethyl-1H-pyrazol-4-yl)acrylamide
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
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-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-3-(1,5-dimethyl-1H-pyrazol-4-yl)acrylamide
CID 1235957
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 1235972

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide (CID 844788) is (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide is CCn1ncc(/C=C/C(=O)Nc2c(C)nn(CC)c2C)c1C.
What is the InChIKey of (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
The InChIKey is MMOSVABMXMZURD-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H23N5O/c1-6-20-12(4)14(10-17-20)8-9-15(22)18-16-11(3)19-21(7-2)13(16)5/h8-10H,6-7H2,1-5H3,(H,18,22)/b9-8+.
What are the key properties of (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
(E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide has a molecular weight of 301.39 g/mol, XLogP of 2.70, 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-ethyl-5-methylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 844788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).