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

C15H21N5O — CID 844536

IUPAC(E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
SMILESCCn1ncc(/C=C/C(=O)NCc2cn(C)nc2C)c1C
InChIInChI=1S/C15H21N5O/c1-5-20-12(3)13(9-17-20)6-7-15(21)16-8-14-10-19(4)18-11(14)2/h6-7,9-10H,5,8H2,1-4H3,(H,16,21)/b7-6+
InChIKeyCSDARXWMQBQSQY-VOTSOKGWSA-N
MW287.37 g/mol
LogP1.58
Rot. Bonds5

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

(E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide (PubChem CID 844536) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
PubChem CID844536
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
SMILESCCn1ncc(/C=C/C(=O)NCc2cn(C)nc2C)c1C
InChIInChI=1S/C15H21N5O/c1-5-20-12(3)13(9-17-20)6-7-15(21)16-8-14-10-19(4)18-11(14)2/h6-7,9-10H,5,8H2,1-4H3,(H,16,21)/b7-6+
InChIKeyCSDARXWMQBQSQY-VOTSOKGWSA-N
XLogP1.58
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 ≤ 51.58
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

2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)acrylamide
CID 840773
(E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 844533
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyl-1H-pyrazol-4-yl)acrylamide
CID 1235959
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
5-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylene]-2-thioxo-1,3-thiazolidin-4-one
CID 1237580
3-(1,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)acrylamide
CID 844487
US11026923, Example 61
CID 155773343
US11026923, Example 66
CID 155773345
(E)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 844492

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide (CID 844536) is (E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide is CCn1ncc(/C=C/C(=O)NCc2cn(C)nc2C)c1C.
What is the InChIKey of (E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
The InChIKey is CSDARXWMQBQSQY-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H21N5O/c1-5-20-12(3)13(9-17-20)6-7-15(21)16-8-14-10-19(4)18-11(14)2/h6-7,9-10H,5,8H2,1-4H3,(H,16,21)/b7-6+.
What are the key properties of (E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
(E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide has a molecular weight of 287.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 844536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).