4-(cyclopropylamino)-3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide

C20H19N5O3 — CID 55612859

IUPAC4-(cyclopropylamino)-3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H19N5O3/c26-20(15-5-8-18(22-16-6-7-16)19(12-15)25(27)28)23-17-4-1-3-14(11-17)13-24-10-2-9-21-24/h1-5,8-12,16,22H,6-7,13H2,(H,23,26)
InChIKeyNOTDLQFZZWHWEC-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.67
Rot. Bonds7

About 4-(cyclopropylamino)-3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide

4-(cyclopropylamino)-3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 55612859) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 4-(cyclopropylamino)-3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID55612859
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name4-(cyclopropylamino)-3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H19N5O3/c26-20(15-5-8-18(22-16-6-7-16)19(12-15)25(27)28)23-17-4-1-3-14(11-17)13-24-10-2-9-21-24/h1-5,8-12,16,22H,6-7,13H2,(H,23,26)
InChIKeyNOTDLQFZZWHWEC-UHFFFAOYSA-N
XLogP3.67
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
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'}

Analyze 4-(cyclopropylamino)-3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzylpyrazol-4-yl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 60552891
4-(cyclopropylamino)-N-[3-(diethylaminomethyl)phenyl]-3-nitrobenzamide
CID 46413061
4-(cyclopropylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-nitrobenzamide
CID 60510436
N-(3-cyanophenyl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 26727779
4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 9151199
4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide
CID 17405597
4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 2948532
4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
CID 55797008
4-(cyclopropylamino)-N-(4-fluorophenyl)-3-nitrobenzamide
CID 7892893
4-(methylamino)-3-nitro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
CID 47059181
N-(1-benzylpyrrolidin-3-yl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 24513186
3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide
CID 167797293

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-(cyclopropylamino)-3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 55612859) is 4-(cyclopropylamino)-3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-(cyclopropylamino)-3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-(cyclopropylamino)-3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide is O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(cyclopropylamino)-3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is NOTDLQFZZWHWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c26-20(15-5-8-18(22-16-6-7-16)19(12-15)25(27)28)23-17-4-1-3-14(11-17)13-24-10-2-9-21-24/h1-5,8-12,16,22H,6-7,13H2,(H,23,26).
What are the key properties of 4-(cyclopropylamino)-3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
4-(cyclopropylamino)-3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 377.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 55612859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).