N-(2-methoxyphenyl)-1-methyl-4-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide

C19H17N5O4 — CID 1230027

IUPACN-(2-methoxyphenyl)-1-methyl-4-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2)cnn1C
InChIInChI=1S/C19H17N5O4/c1-23-18(19(25)22-15-8-3-4-9-17(15)28-2)16(12-21-23)20-11-13-6-5-7-14(10-13)24(26)27/h3-12H,1-2H3,(H,22,25)/b20-11+
InChIKeyQEEJQGBRRZKRTF-RGVLZGJSSA-N
MW379.38 g/mol
LogP3.34
Rot. Bonds6

About N-(2-methoxyphenyl)-1-methyl-4-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide

N-(2-methoxyphenyl)-1-methyl-4-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide (PubChem CID 1230027) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-methyl-4-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-methyl-4-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide
PubChem CID1230027
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC NameN-(2-methoxyphenyl)-1-methyl-4-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2)cnn1C
InChIInChI=1S/C19H17N5O4/c1-23-18(19(25)22-15-8-3-4-9-17(15)28-2)16(12-21-23)20-11-13-6-5-7-14(10-13)24(26)27/h3-12H,1-2H3,(H,22,25)/b20-11+
InChIKeyQEEJQGBRRZKRTF-RGVLZGJSSA-N
XLogP3.34
TPSA111.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-methyl-4-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-methyl-4-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide (CID 1230027) is N-(2-methoxyphenyl)-1-methyl-4-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-methyl-4-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-methyl-4-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide is COc1ccccc1NC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2)cnn1C.
What is the InChIKey of N-(2-methoxyphenyl)-1-methyl-4-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide?
The InChIKey is QEEJQGBRRZKRTF-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H17N5O4/c1-23-18(19(25)22-15-8-3-4-9-17(15)28-2)16(12-21-23)20-11-13-6-5-7-14(10-13)24(26)27/h3-12H,1-2H3,(H,22,25)/b20-11+.
What are the key properties of N-(2-methoxyphenyl)-1-methyl-4-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide?
N-(2-methoxyphenyl)-1-methyl-4-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-methyl-4-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide is sourced from PubChem (CID 1230027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).