(E)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide

C17H15N5O — CID 75363591

IUPAC(E)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnccn1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H15N5O/c23-17(7-6-15-12-18-8-9-19-15)20-10-14-11-21-22(13-14)16-4-2-1-3-5-16/h1-9,11-13H,10H2,(H,20,23)/b7-6+
InChIKeyMNFYIBSTZCVZDV-VOTSOKGWSA-N
MW305.34 g/mol
LogP1.99
Rot. Bonds5

About (E)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide

(E)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide (PubChem CID 75363591) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is (E)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide
PubChem CID75363591
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name(E)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnccn1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H15N5O/c23-17(7-6-15-12-18-8-9-19-15)20-10-14-11-21-22(13-14)16-4-2-1-3-5-16/h1-9,11-13H,10H2,(H,20,23)/b7-6+
InChIKeyMNFYIBSTZCVZDV-VOTSOKGWSA-N
XLogP1.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.99
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

N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]prop-1-enyl]benzamide
CID 92851724
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide
CID 42033430
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide
CID 24617872
(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide
CID 24617864
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
(E)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 86968467
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 79012304
2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 72851855
(E)-3-(1-phenylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide
CID 34500553
(E)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-pyrazin-2-ylprop-2-enamide
CID 167908329
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide (CID 75363591) is (E)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide is O=C(/C=C/c1cnccn1)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of (E)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide?
The InChIKey is MNFYIBSTZCVZDV-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H15N5O/c23-17(7-6-15-12-18-8-9-19-15)20-10-14-11-21-22(13-14)16-4-2-1-3-5-16/h1-9,11-13H,10H2,(H,20,23)/b7-6+.
What are the key properties of (E)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide?
(E)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide has a molecular weight of 305.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide is sourced from PubChem (CID 75363591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).