N-cycloheptyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide

C14H22N4O3 — CID 843625

IUPACN-cycloheptyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
SMILESCc1cc([N+](=O)[O-])nn1CCC(=O)NC1CCCCCC1
InChIInChI=1S/C14H22N4O3/c1-11-10-13(18(20)21)16-17(11)9-8-14(19)15-12-6-4-2-3-5-7-12/h10,12H,2-9H2,1H3,(H,15,19)
InChIKeySTSNXKMBWFFZJN-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.33
Rot. Bonds5

About N-cycloheptyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide

N-cycloheptyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide (PubChem CID 843625) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-cycloheptyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
PubChem CID843625
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-cycloheptyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
SMILESCc1cc([N+](=O)[O-])nn1CCC(=O)NC1CCCCCC1
InChIInChI=1S/C14H22N4O3/c1-11-10-13(18(20)21)16-17(11)9-8-14(19)15-12-6-4-2-3-5-7-12/h10,12H,2-9H2,1H3,(H,15,19)
InChIKeySTSNXKMBWFFZJN-UHFFFAOYSA-N
XLogP2.33
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-cycloheptyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide (CID 843625) is N-cycloheptyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-cycloheptyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-cycloheptyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide is Cc1cc([N+](=O)[O-])nn1CCC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The InChIKey is STSNXKMBWFFZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-11-10-13(18(20)21)16-17(11)9-8-14(19)15-12-6-4-2-3-5-7-12/h10,12H,2-9H2,1H3,(H,15,19).
What are the key properties of N-cycloheptyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide?
N-cycloheptyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide has a molecular weight of 294.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 843625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).