(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-(4-methoxypyrimidin-2-yl)prop-2-enehydrazide

C19H20N6O2 — CID 55619412

IUPAC(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-(4-methoxypyrimidin-2-yl)prop-2-enehydrazide
SMILESCOc1ccnc(NNC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)n1
InChIInChI=1S/C19H20N6O2/c1-13-16(14(2)25(24-13)15-7-5-4-6-8-15)9-10-17(26)22-23-19-20-12-11-18(21-19)27-3/h4-12H,1-3H3,(H,22,26)(H,20,21,23)/b10-9+
InChIKeyKCOATTTUQSDJBC-MDZDMXLPSA-N
MW364.41 g/mol
LogP2.44
Rot. Bonds6

About (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-(4-methoxypyrimidin-2-yl)prop-2-enehydrazide

(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-(4-methoxypyrimidin-2-yl)prop-2-enehydrazide (PubChem CID 55619412) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-(4-methoxypyrimidin-2-yl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-(4-methoxypyrimidin-2-yl)prop-2-enehydrazide
PubChem CID55619412
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-(4-methoxypyrimidin-2-yl)prop-2-enehydrazide
SMILESCOc1ccnc(NNC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)n1
InChIInChI=1S/C19H20N6O2/c1-13-16(14(2)25(24-13)15-7-5-4-6-8-15)9-10-17(26)22-23-19-20-12-11-18(21-19)27-3/h4-12H,1-3H3,(H,22,26)(H,20,21,23)/b10-9+
InChIKeyKCOATTTUQSDJBC-MDZDMXLPSA-N
XLogP2.44
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 26086243
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 78781676
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)prop-2-enamide
CID 78837252
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 75266589
N'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide
CID 78812955
3-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoylamino]propanoic acid
CID 127265525
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide
CID 9489262
(E)-N-(2-bromophenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 26719106
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-methylsulfonylethyl)prop-2-enamide
CID 51092268
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 8881452
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
CID 111464339
(E)-N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 55727022

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-(4-methoxypyrimidin-2-yl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-(4-methoxypyrimidin-2-yl)prop-2-enehydrazide (CID 55619412) is (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-(4-methoxypyrimidin-2-yl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-(4-methoxypyrimidin-2-yl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-(4-methoxypyrimidin-2-yl)prop-2-enehydrazide is COc1ccnc(NNC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)n1.
What is the InChIKey of (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-(4-methoxypyrimidin-2-yl)prop-2-enehydrazide?
The InChIKey is KCOATTTUQSDJBC-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-13-16(14(2)25(24-13)15-7-5-4-6-8-15)9-10-17(26)22-23-19-20-12-11-18(21-19)27-3/h4-12H,1-3H3,(H,22,26)(H,20,21,23)/b10-9+.
What are the key properties of (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-(4-methoxypyrimidin-2-yl)prop-2-enehydrazide?
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-(4-methoxypyrimidin-2-yl)prop-2-enehydrazide has a molecular weight of 364.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-(4-methoxypyrimidin-2-yl)prop-2-enehydrazide is sourced from PubChem (CID 55619412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).