2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]quinoline-4-carboxamide

C21H17N5O3 — CID 55507906

IUPAC2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)c2ccccc2n1
InChIInChI=1S/C21H17N5O3/c1-13-11-18(17-5-3-4-6-19(17)22-13)21(27)23-20-12-14(2)24-25(20)15-7-9-16(10-8-15)26(28)29/h3-12H,1-2H3,(H,23,27)
InChIKeyDPMGOQXIYYUPFU-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.20
Rot. Bonds4

About 2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]quinoline-4-carboxamide

2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]quinoline-4-carboxamide (PubChem CID 55507906) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]quinoline-4-carboxamide
PubChem CID55507906
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)c2ccccc2n1
InChIInChI=1S/C21H17N5O3/c1-13-11-18(17-5-3-4-6-19(17)22-13)21(27)23-20-12-14(2)24-25(20)15-7-9-16(10-8-15)26(28)29/h3-12H,1-2H3,(H,23,27)
InChIKeyDPMGOQXIYYUPFU-UHFFFAOYSA-N
XLogP4.20
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3,6-trimethyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55520418
2-ethoxy-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 55520199
2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide
CID 2372877
3,5-dimethyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 55520402
4-bromo-2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 112845068
1-(2-fluorophenyl)-5-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyrazole-4-carboxamide
CID 55520788
(E)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-phenylprop-2-enamide
CID 55519781
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55508078
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide
CID 55508215
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55508140
6-(furan-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55502737
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 55508208

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]quinoline-4-carboxamide (CID 55507906) is 2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]quinoline-4-carboxamide is Cc1cc(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]quinoline-4-carboxamide?
The InChIKey is DPMGOQXIYYUPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-13-11-18(17-5-3-4-6-19(17)22-13)21(27)23-20-12-14(2)24-25(20)15-7-9-16(10-8-15)26(28)29/h3-12H,1-2H3,(H,23,27).
What are the key properties of 2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]quinoline-4-carboxamide?
2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]quinoline-4-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 55507906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).