(2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide

C19H23N5O2 — CID 145228722

IUPAC(2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide
SMILESCNC(=O)/C(C)=C/C(=C\NC=O)c1nn(-c2ccccc2)c(NC)c1C
InChIInChI=1S/C19H23N5O2/c1-13(19(26)21-4)10-15(11-22-12-25)17-14(2)18(20-3)24(23-17)16-8-6-5-7-9-16/h5-12,20H,1-4H3,(H,21,26)(H,22,25)/b13-10+,15-11+
InChIKeyMJOLKWPPZBHANJ-FVIOEUFFSA-N
MW353.43 g/mol
LogP2.00
Rot. Bonds7

About (2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide

(2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide (PubChem CID 145228722) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide
PubChem CID145228722
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide
SMILESCNC(=O)/C(C)=C/C(=C\NC=O)c1nn(-c2ccccc2)c(NC)c1C
InChIInChI=1S/C19H23N5O2/c1-13(19(26)21-4)10-15(11-22-12-25)17-14(2)18(20-3)24(23-17)16-8-6-5-7-9-16/h5-12,20H,1-4H3,(H,21,26)(H,22,25)/b13-10+,15-11+
InChIKeyMJOLKWPPZBHANJ-FVIOEUFFSA-N
XLogP2.00
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine
CID 134567678
3-[(E)-3-(2,2-difluoroethylimino)-1-(methylideneamino)prop-1-en-2-yl]-N,4-dimethyl-1-phenylpyrazol-5-amine
CID 145228988
phenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate
CID 174766296
(5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one
CID 167207531
[(2E,4E)-4-[5-[[(5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]amino]-4-methyl-1-phenylpyrazol-3-yl]-5-formamido-2-methylpenta-2,4-dienyl] acetate;formaldehyde;methanamine
CID 145228837
4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]oxybutanal
CID 145228971
5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide
CID 151938609
1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea
CID 123778473
methanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol
CID 144628837
formamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol
CID 145228703
4,5-dimethyl-3-penta-1,3-dien-3-yl-1-phenylpyrazole
CID 123402628
butane;formamide;4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]oxy-1-(4-methylpiperazin-1-yl)butan-1-one
CID 145229102

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide (CID 145228722) is (2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide is CNC(=O)/C(C)=C/C(=C\NC=O)c1nn(-c2ccccc2)c(NC)c1C.
What is the InChIKey of (2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide?
The InChIKey is MJOLKWPPZBHANJ-FVIOEUFFSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13(19(26)21-4)10-15(11-22-12-25)17-14(2)18(20-3)24(23-17)16-8-6-5-7-9-16/h5-12,20H,1-4H3,(H,21,26)(H,22,25)/b13-10+,15-11+.
What are the key properties of (2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide?
(2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide has a molecular weight of 353.43 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide is sourced from PubChem (CID 145228722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).