N-cyclohexyl-3-(3-nitropyrazol-1-yl)propanamide

C12H18N4O3 — CID 4770765

IUPACN-cyclohexyl-3-(3-nitropyrazol-1-yl)propanamide
SMILESO=C(CCn1ccc([N+](=O)[O-])n1)NC1CCCCC1
InChIInChI=1S/C12H18N4O3/c17-12(13-10-4-2-1-3-5-10)7-9-15-8-6-11(14-15)16(18)19/h6,8,10H,1-5,7,9H2,(H,13,17)
InChIKeyDIEYNVQVYURPEV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.63
Rot. Bonds5

About N-cyclohexyl-3-(3-nitropyrazol-1-yl)propanamide

N-cyclohexyl-3-(3-nitropyrazol-1-yl)propanamide (PubChem CID 4770765) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-cyclohexyl-3-(3-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3-nitropyrazol-1-yl)propanamide
PubChem CID4770765
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-cyclohexyl-3-(3-nitropyrazol-1-yl)propanamide
SMILESO=C(CCn1ccc([N+](=O)[O-])n1)NC1CCCCC1
InChIInChI=1S/C12H18N4O3/c17-12(13-10-4-2-1-3-5-10)7-9-15-8-6-11(14-15)16(18)19/h6,8,10H,1-5,7,9H2,(H,13,17)
InChIKeyDIEYNVQVYURPEV-UHFFFAOYSA-N
XLogP1.63
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.63
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-cyclohexyl-3-(3-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-cyclohexyl-3-(3-nitropyrazol-1-yl)propanamide (CID 4770765) is N-cyclohexyl-3-(3-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(3-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(3-nitropyrazol-1-yl)propanamide is O=C(CCn1ccc([N+](=O)[O-])n1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(3-nitropyrazol-1-yl)propanamide?
The InChIKey is DIEYNVQVYURPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c17-12(13-10-4-2-1-3-5-10)7-9-15-8-6-11(14-15)16(18)19/h6,8,10H,1-5,7,9H2,(H,13,17).
What are the key properties of N-cyclohexyl-3-(3-nitropyrazol-1-yl)propanamide?
N-cyclohexyl-3-(3-nitropyrazol-1-yl)propanamide has a molecular weight of 266.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 4770765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).