3-methoxy-N,1-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide

C19H25N5O3 — CID 121092061

IUPAC3-methoxy-N,1-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N(C)CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H25N5O3/c1-21(19(26)16-13-22(2)20-18(16)27-3)14-17(25)24-11-9-23(10-12-24)15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3
InChIKeyJEADMRHCKNUCGD-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.85
Rot. Bonds5

About 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide

3-methoxy-N,1-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 121092061) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N,1-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
PubChem CID121092061
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name3-methoxy-N,1-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N(C)CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H25N5O3/c1-21(19(26)16-13-22(2)20-18(16)27-3)14-17(25)24-11-9-23(10-12-24)15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3
InChIKeyJEADMRHCKNUCGD-UHFFFAOYSA-N
XLogP0.85
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

ethyl 4-[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate
CID 121092063
2-[[5-(3-methoxy-1-methylpyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 16880217
2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 60598831
N-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 35560039
3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide
CID 121092039
3-methoxy-N,1-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121092202
2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002124
N-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide
CID 9433175
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092174
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190
3-(4-fluorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazole-4-carboxamide
CID 16573857
(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 155954055

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide (CID 121092061) is 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)N(C)CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is JEADMRHCKNUCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-21(19(26)16-13-22(2)20-18(16)27-3)14-17(25)24-11-9-23(10-12-24)15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3.
What are the key properties of 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide?
3-methoxy-N,1-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 121092061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).