N-[4-(dimethylamino)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide

C19H19N5O3 — CID 5048498

IUPACN-[4-(dimethylamino)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1
InChIInChI=1S/C19H19N5O3/c1-22(2)17-9-7-16(8-10-17)21-19(25)15-5-3-14(4-6-15)12-23-13-18(11-20-23)24(26)27/h3-11,13H,12H2,1-2H3,(H,21,25)
InChIKeyOSBBXKOTUVDEDW-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.16
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide

N-[4-(dimethylamino)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide (PubChem CID 5048498) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide
PubChem CID5048498
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[4-(dimethylamino)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1
InChIInChI=1S/C19H19N5O3/c1-22(2)17-9-7-16(8-10-17)21-19(25)15-5-3-14(4-6-15)12-23-13-18(11-20-23)24(26)27/h3-11,13H,12H2,1-2H3,(H,21,25)
InChIKeyOSBBXKOTUVDEDW-UHFFFAOYSA-N
XLogP3.16
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-[4-(dimethylamino)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide (CID 5048498) is N-[4-(dimethylamino)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide is CN(C)c1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide?
The InChIKey is OSBBXKOTUVDEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-22(2)17-9-7-16(8-10-17)21-19(25)15-5-3-14(4-6-15)12-23-13-18(11-20-23)24(26)27/h3-11,13H,12H2,1-2H3,(H,21,25).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide?
N-[4-(dimethylamino)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide has a molecular weight of 365.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 5048498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).