(4Z)-N,1-dimethyl-4-[(E)-3-[2-methyl-5-(methylcarbamoyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxopyrazole-3-carboxamide

C15H18N6O4 — CID 15963402

IUPAC(4Z)-N,1-dimethyl-4-[(E)-3-[2-methyl-5-(methylcarbamoyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxopyrazole-3-carboxamide
SMILESCNC(=O)C1=NN(C)C(=O)/C1=C\C=C\c1c(C(=O)NC)[nH]n(C)c1=O
InChIInChI=1S/C15H18N6O4/c1-16-12(22)10-8(14(24)20(3)18-10)6-5-7-9-11(13(23)17-2)19-21(4)15(9)25/h5-7,18H,1-4H3,(H,16,22)(H,17,23)/b6-5+,9-7-
InChIKeyURXPWFSOOBXGKX-UQIVLYAPSA-N
MW346.35 g/mol
LogP-1.41
Rot. Bonds4

About (4Z)-N,1-dimethyl-4-[(E)-3-[2-methyl-5-(methylcarbamoyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxopyrazole-3-carboxamide

(4Z)-N,1-dimethyl-4-[(E)-3-[2-methyl-5-(methylcarbamoyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxopyrazole-3-carboxamide (PubChem CID 15963402) has the molecular formula C15H18N6O4 and a molecular weight of 346.35 g/mol. Its IUPAC name is (4Z)-N,1-dimethyl-4-[(E)-3-[2-methyl-5-(methylcarbamoyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxopyrazole-3-carboxamide.

Molecular Properties

Compound Name(4Z)-N,1-dimethyl-4-[(E)-3-[2-methyl-5-(methylcarbamoyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxopyrazole-3-carboxamide
PubChem CID15963402
Molecular FormulaC15H18N6O4
Molecular Weight346.35 g/mol
Exact Mass346.14
IUPAC Name(4Z)-N,1-dimethyl-4-[(E)-3-[2-methyl-5-(methylcarbamoyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxopyrazole-3-carboxamide
SMILESCNC(=O)C1=NN(C)C(=O)/C1=C\C=C\c1c(C(=O)NC)[nH]n(C)c1=O
InChIInChI=1S/C15H18N6O4/c1-16-12(22)10-8(14(24)20(3)18-10)6-5-7-9-11(13(23)17-2)19-21(4)15(9)25/h5-7,18H,1-4H3,(H,16,22)(H,17,23)/b6-5+,9-7-
InChIKeyURXPWFSOOBXGKX-UQIVLYAPSA-N
XLogP-1.41
TPSA128.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4Z)-N,1-dimethyl-4-[(E)-3-[2-methyl-5-(methylcarbamoyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxopyrazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4E)-4-[(E)-3-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)prop-2-enylidene]-2,5-dimethylpyrazol-3-one
CID 18710830
(4Z)-4-[(2E,4E)-5-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)penta-2,4-dienylidene]-2,5-dimethylpyrazol-3-one
CID 22623433
(4Z)-4-[(E)-3-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)prop-2-enylidene]-2,5-dimethylpyrazol-3-one
CID 22623451
4-[5-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)penta-2,4-dienylidene]-2,5-dimethylpyrazol-3-one
CID 54003218
4-[3-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)prop-2-enylidene]-2,5-dimethylpyrazol-3-one
CID 54355286
N-butyl-4-[5-[3-(butylcarbamoyl)-5-oxo-1,2-dihydropyrazol-4-yl]-3-methylpenta-2,4-dienylidene]-5-oxo-1H-pyrazole-3-carboxamide
CID 89326950
N,1-dimethyl-4-[(E)-3-[2-methyl-5-(methylcarbamoyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxopyrazole-3-carboxamide
CID 91869602
[2-methyl-4-[(3Z)-3-[1-methyl-3-(methylcarbamoyl)-5-oxopyrazol-4-ylidene]prop-1-enyl]-3-oxo-1H-pyrazol-5-yl] N-methylmethanimidate
CID 136089042
[2-methyl-4-[3-[1-methyl-3-(methylcarbamoyl)-5-oxopyrazol-4-ylidene]prop-1-enyl]-3-oxo-1H-pyrazol-5-yl] N-methylmethanimidate
CID 136502956
(4Z)-N-butyl-4-[5-[3-(butylcarbamoyl)-5-oxo-1,2-dihydropyrazol-4-yl]penta-2,4-dienylidene]-5-oxo-1H-pyrazole-3-carboxamide
CID 173495615
4-[5-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)-3-methylpenta-2,4-dienylidene]-2,5-dimethylpyrazol-3-one
CID 18717029
[2-methyl-4-[(E,3Z)-3-[1-methyl-3-(methylcarbamoyl)-5-oxopyrazol-4-ylidene]prop-1-enyl]-3-oxo-1H-pyrazol-5-yl] N-methylmethanimidate
CID 135682092

Frequently Asked Questions

What is the IUPAC name of (4Z)-N,1-dimethyl-4-[(E)-3-[2-methyl-5-(methylcarbamoyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxopyrazole-3-carboxamide?
The IUPAC name of (4Z)-N,1-dimethyl-4-[(E)-3-[2-methyl-5-(methylcarbamoyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxopyrazole-3-carboxamide (CID 15963402) is (4Z)-N,1-dimethyl-4-[(E)-3-[2-methyl-5-(methylcarbamoyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxopyrazole-3-carboxamide.
What is the SMILES notation for (4Z)-N,1-dimethyl-4-[(E)-3-[2-methyl-5-(methylcarbamoyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxopyrazole-3-carboxamide?
The canonical SMILES for (4Z)-N,1-dimethyl-4-[(E)-3-[2-methyl-5-(methylcarbamoyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxopyrazole-3-carboxamide is CNC(=O)C1=NN(C)C(=O)/C1=C\C=C\c1c(C(=O)NC)[nH]n(C)c1=O.
What is the InChIKey of (4Z)-N,1-dimethyl-4-[(E)-3-[2-methyl-5-(methylcarbamoyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxopyrazole-3-carboxamide?
The InChIKey is URXPWFSOOBXGKX-UQIVLYAPSA-N. The full InChI is InChI=1S/C15H18N6O4/c1-16-12(22)10-8(14(24)20(3)18-10)6-5-7-9-11(13(23)17-2)19-21(4)15(9)25/h5-7,18H,1-4H3,(H,16,22)(H,17,23)/b6-5+,9-7-.
What are the key properties of (4Z)-N,1-dimethyl-4-[(E)-3-[2-methyl-5-(methylcarbamoyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxopyrazole-3-carboxamide?
(4Z)-N,1-dimethyl-4-[(E)-3-[2-methyl-5-(methylcarbamoyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxopyrazole-3-carboxamide has a molecular weight of 346.35 g/mol, XLogP of -1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N,1-dimethyl-4-[(E)-3-[2-methyl-5-(methylcarbamoyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxopyrazole-3-carboxamide is sourced from PubChem (CID 15963402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).