3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide

C17H20N4O4 — CID 71876400

IUPAC3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide
SMILESO=C(CCn1cc([N+](=O)[O-])cn1)NC1CCCC1Oc1ccccc1
InChIInChI=1S/C17H20N4O4/c22-17(9-10-20-12-13(11-18-20)21(23)24)19-15-7-4-8-16(15)25-14-5-2-1-3-6-14/h1-3,5-6,11-12,15-16H,4,7-10H2,(H,19,22)
InChIKeyMNNHDIWLWPRYIK-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.30
Rot. Bonds7

About 3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide

3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide (PubChem CID 71876400) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide.

Molecular Properties

Compound Name3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide
PubChem CID71876400
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide
SMILESO=C(CCn1cc([N+](=O)[O-])cn1)NC1CCCC1Oc1ccccc1
InChIInChI=1S/C17H20N4O4/c22-17(9-10-20-12-13(11-18-20)21(23)24)19-15-7-4-8-16(15)25-14-5-2-1-3-6-14/h1-3,5-6,11-12,15-16H,4,7-10H2,(H,19,22)
InChIKeyMNNHDIWLWPRYIK-UHFFFAOYSA-N
XLogP2.30
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.30
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide?
The IUPAC name of 3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide (CID 71876400) is 3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide.
What is the SMILES notation for 3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide?
The canonical SMILES for 3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide is O=C(CCn1cc([N+](=O)[O-])cn1)NC1CCCC1Oc1ccccc1.
What is the InChIKey of 3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide?
The InChIKey is MNNHDIWLWPRYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c22-17(9-10-20-12-13(11-18-20)21(23)24)19-15-7-4-8-16(15)25-14-5-2-1-3-6-14/h1-3,5-6,11-12,15-16H,4,7-10H2,(H,19,22).
What are the key properties of 3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide?
3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide has a molecular weight of 344.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide is sourced from PubChem (CID 71876400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).