N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxopyran-3-carboxamide

C17H15N3O4 — CID 660628

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxopyran-3-carboxamide
SMILESCc1c(NC(=O)c2ccc(=O)oc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H15N3O4/c1-11-15(18-16(22)12-8-9-14(21)24-10-12)17(23)20(19(11)2)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,22)
InChIKeyPMDKZECEQUTWCO-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.69
Rot. Bonds3

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxopyran-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxopyran-3-carboxamide (PubChem CID 660628) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxopyran-3-carboxamide
PubChem CID660628
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxopyran-3-carboxamide
SMILESCc1c(NC(=O)c2ccc(=O)oc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H15N3O4/c1-11-15(18-16(22)12-8-9-14(21)24-10-12)17(23)20(19(11)2)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,22)
InChIKeyPMDKZECEQUTWCO-UHFFFAOYSA-N
XLogP1.69
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Pyrazoline-4-carbamic acid, 2,3-dimethyl-5-oxo-, methyl ester
CID 202291
ethyl (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamate
CID 228457
3-bromo-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-oxo-2H-pyran-5-carboxamide
CID 661972
ethyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
CID 680303
Ethyl 1-phenyl-3-(phenylamino)-2,5-dihydro-2-oxo-1h-pyrrole-4-carboxylate
CID 12390050
ethyl 5-oxo-1-phenyl-4-(propylamino)-2H-pyrrole-3-carboxylate
CID 44204272
ethyl 2-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazin-1-ylidene]-3-oxobutanoate
CID 135451740
Acetic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)oxo-, 2-methylpropyl ester
CID 44143
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 1916791
[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
CID 5793406
Methyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2,5-dihydro-1h-pyrrole-3-carboxylate
CID 44204163
Ethyl 1-methyl-4-[(methylphenylamino)amino]-5-oxo-3-pyrroline-3-carboxylate
CID 678192

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxopyran-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxopyran-3-carboxamide (CID 660628) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxopyran-3-carboxamide is Cc1c(NC(=O)c2ccc(=O)oc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxopyran-3-carboxamide?
The InChIKey is PMDKZECEQUTWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-11-15(18-16(22)12-8-9-14(21)24-10-12)17(23)20(19(11)2)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,22).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxopyran-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxopyran-3-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 660628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).