2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide

C13H15N5O3 — CID 115597314

IUPAC2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1cccn1
InChIInChI=1S/C13H15N5O3/c14-12-4-3-10(18(20)21)9-11(12)13(19)15-5-1-7-17-8-2-6-16-17/h2-4,6,8-9H,1,5,7,14H2,(H,15,19)
InChIKeyNYUPOPRYZQHUPD-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.19
Rot. Bonds6

About 2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide

2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 115597314) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID115597314
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC Name2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1cccn1
InChIInChI=1S/C13H15N5O3/c14-12-4-3-10(18(20)21)9-11(12)13(19)15-5-1-7-17-8-2-6-16-17/h2-4,6,8-9H,1,5,7,14H2,(H,15,19)
InChIKeyNYUPOPRYZQHUPD-UHFFFAOYSA-N
XLogP1.19
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)sulfanyl-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394669
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
3-methylsulfonyl-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 47855094
2-amino-N-(3-ethoxypropyl)-5-nitrobenzamide
CID 22467524
1-(4-nitrophenyl)-3-(3-pyrazol-1-ylpropyl)thiourea
CID 19573263
2-amino-N-(3-methylsulfanylpropyl)-5-nitrobenzamide
CID 63961663
2-amino-N-(3-butoxypropyl)-5-nitrobenzamide
CID 115597224
2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393425
2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide
CID 62155328
2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide
CID 104877743
2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394125
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide (CID 115597314) is 2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide is Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1cccn1.
What is the InChIKey of 2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is NYUPOPRYZQHUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c14-12-4-3-10(18(20)21)9-11(12)13(19)15-5-1-7-17-8-2-6-16-17/h2-4,6,8-9H,1,5,7,14H2,(H,15,19).
What are the key properties of 2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide?
2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 289.29 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 115597314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).