N-cycloheptyl-2-(4-nitropyrazol-1-yl)propanamide

C13H20N4O3 — CID 4916228

IUPACN-cycloheptyl-2-(4-nitropyrazol-1-yl)propanamide
SMILESCC(C(=O)NC1CCCCCC1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C13H20N4O3/c1-10(16-9-12(8-14-16)17(19)20)13(18)15-11-6-4-2-3-5-7-11/h8-11H,2-7H2,1H3,(H,15,18)
InChIKeyNBFSHPFJINKYBA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.19
Rot. Bonds4

About N-cycloheptyl-2-(4-nitropyrazol-1-yl)propanamide

N-cycloheptyl-2-(4-nitropyrazol-1-yl)propanamide (PubChem CID 4916228) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-nitropyrazol-1-yl)propanamide
PubChem CID4916228
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-cycloheptyl-2-(4-nitropyrazol-1-yl)propanamide
SMILESCC(C(=O)NC1CCCCCC1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C13H20N4O3/c1-10(16-9-12(8-14-16)17(19)20)13(18)15-11-6-4-2-3-5-7-11/h8-11H,2-7H2,1H3,(H,15,18)
InChIKeyNBFSHPFJINKYBA-UHFFFAOYSA-N
XLogP2.19
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

N-cycloheptyl-4-(4-nitro-1H-pyrazol-1-yl)butanamide
CID 1504304
N-cycloheptyl-2-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 1504356
4-(4-nitro-1H-pyrazol-1-yl)-N-(propan-2-yl)butanamide
CID 1511617
1H-Pyrazole-1-acetamide, N-[1-(1-methylethyl)-1H-pyrazol-4-yl]-4-nitro-
CID 1508995
(2S)-N-methyl-N-(1-methylpyrazol-4-yl)-7-oxoazepane-2-carboxamide
CID 164636195
4,4-difluoro-2-(4-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 169172584
2-(3-fluoro-4-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 169172610
N-(3,3-difluorocyclobutyl)-4,4-difluoro-2-(4-nitropyrazol-1-yl)butanamide
CID 169172614
4,4-difluoro-2-(3-fluoro-4-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 169172722
4,4,4-trifluoro-2-(4-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 169172785
2-(4-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 169172853
2-(4-nitro-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)propan-1-one
CID 4916126

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-cycloheptyl-2-(4-nitropyrazol-1-yl)propanamide (CID 4916228) is N-cycloheptyl-2-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-cycloheptyl-2-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-cycloheptyl-2-(4-nitropyrazol-1-yl)propanamide is CC(C(=O)NC1CCCCCC1)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-cycloheptyl-2-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is NBFSHPFJINKYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-10(16-9-12(8-14-16)17(19)20)13(18)15-11-6-4-2-3-5-7-11/h8-11H,2-7H2,1H3,(H,15,18).
What are the key properties of N-cycloheptyl-2-(4-nitropyrazol-1-yl)propanamide?
N-cycloheptyl-2-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 280.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 4916228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).