N-[(2E)-2-ethenylpenta-2,4-dienyl]-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide

C18H21N5O2 — CID 145286925

IUPACN-[(2E)-2-ethenylpenta-2,4-dienyl]-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
SMILESC=C/C=C(\C=C)CN(C)C(=O)c1cnn(-c2nc(C)cc(=O)[nH]2)c1C
InChIInChI=1S/C18H21N5O2/c1-6-8-14(7-2)11-22(5)17(25)15-10-19-23(13(15)4)18-20-12(3)9-16(24)21-18/h6-10H,1-2,11H2,3-5H3,(H,20,21,24)/b14-8+
InChIKeyGNCQTIMUEFUCDK-RIYZIHGNSA-N
MW339.40 g/mol
LogP1.94
Rot. Bonds6

About N-[(2E)-2-ethenylpenta-2,4-dienyl]-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide

N-[(2E)-2-ethenylpenta-2,4-dienyl]-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 145286925) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(2E)-2-ethenylpenta-2,4-dienyl]-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2E)-2-ethenylpenta-2,4-dienyl]-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID145286925
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[(2E)-2-ethenylpenta-2,4-dienyl]-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
SMILESC=C/C=C(\C=C)CN(C)C(=O)c1cnn(-c2nc(C)cc(=O)[nH]2)c1C
InChIInChI=1S/C18H21N5O2/c1-6-8-14(7-2)11-22(5)17(25)15-10-19-23(13(15)4)18-20-12(3)9-16(24)21-18/h6-10H,1-2,11H2,3-5H3,(H,20,21,24)/b14-8+
InChIKeyGNCQTIMUEFUCDK-RIYZIHGNSA-N
XLogP1.94
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-6-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
CID 126739421
6-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 126739517
4-methyl-6-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
CID 126739448
6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one
CID 126750647
N-cyclopentyl-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136035916
N-cyclopentyl-1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 136035921
N-cyclopentyl-1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 136035926
2-(4-(4-ethylpiperazine-1-carbonyl)-5-methyl-1H-py
CID 136245321
N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
CID 137049038
N-ethyl-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-propylpyrazole-4-carboxamide
CID 137049040
N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 137049041
2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137049043

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-ethenylpenta-2,4-dienyl]-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[(2E)-2-ethenylpenta-2,4-dienyl]-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide (CID 145286925) is N-[(2E)-2-ethenylpenta-2,4-dienyl]-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2E)-2-ethenylpenta-2,4-dienyl]-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(2E)-2-ethenylpenta-2,4-dienyl]-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide is C=C/C=C(\C=C)CN(C)C(=O)c1cnn(-c2nc(C)cc(=O)[nH]2)c1C.
What is the InChIKey of N-[(2E)-2-ethenylpenta-2,4-dienyl]-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is GNCQTIMUEFUCDK-RIYZIHGNSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-6-8-14(7-2)11-22(5)17(25)15-10-19-23(13(15)4)18-20-12(3)9-16(24)21-18/h6-10H,1-2,11H2,3-5H3,(H,20,21,24)/b14-8+.
What are the key properties of N-[(2E)-2-ethenylpenta-2,4-dienyl]-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
N-[(2E)-2-ethenylpenta-2,4-dienyl]-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-ethenylpenta-2,4-dienyl]-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 145286925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).