N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide

C22H23N5O3 — CID 90555329

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C22H23N5O3/c1-15-6-7-17(12-20(15)27(29)30)22(28)24-14-18-13-21(16-8-10-23-11-9-16)26(25-18)19-4-2-3-5-19/h6-13,19H,2-5,14H2,1H3,(H,24,28)
InChIKeyJXUVYWXDBJPWCT-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.21
Rot. Bonds6

About N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide (PubChem CID 90555329) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide
PubChem CID90555329
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C22H23N5O3/c1-15-6-7-17(12-20(15)27(29)30)22(28)24-14-18-13-21(16-8-10-23-11-9-16)26(25-18)19-4-2-3-5-19/h6-13,19H,2-5,14H2,1H3,(H,24,28)
InChIKeyJXUVYWXDBJPWCT-UHFFFAOYSA-N
XLogP4.21
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.21
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'}

Analyze N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide 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-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 90555283
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide
CID 90555323
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide
CID 90555403
4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 19329175
1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 90555550
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 90555890
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-ethoxynaphthalene-1-carboxamide
CID 90555383
(E)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 71797562
1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea
CID 90555522
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 90555478
4-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-nitrobenzamide
CID 46476101
N-(2-cyclohexyl-2-hydroxyethyl)-4-methyl-3-nitrobenzamide
CID 90498788

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide (CID 90555329) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide is Cc1ccc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1[N+](=O)[O-].
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide?
The InChIKey is JXUVYWXDBJPWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-15-6-7-17(12-20(15)27(29)30)22(28)24-14-18-13-21(16-8-10-23-11-9-16)26(25-18)19-4-2-3-5-19/h6-13,19H,2-5,14H2,1H3,(H,24,28).
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide has a molecular weight of 405.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 90555329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).