N-[4-(methoxymethoxy)cyclohexyl]-4-nitro-1H-pyrazole-5-carboxamide

C12H18N4O5 — CID 59862726

IUPACN-[4-(methoxymethoxy)cyclohexyl]-4-nitro-1H-pyrazole-5-carboxamide
SMILESCOCOC1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H18N4O5/c1-20-7-21-9-4-2-8(3-5-9)14-12(17)11-10(16(18)19)6-13-15-11/h6,8-9H,2-5,7H2,1H3,(H,13,15)(H,14,17)
InChIKeyLXNMXWSYVPFUGA-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.98
Rot. Bonds6

About N-[4-(methoxymethoxy)cyclohexyl]-4-nitro-1H-pyrazole-5-carboxamide

N-[4-(methoxymethoxy)cyclohexyl]-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 59862726) has the molecular formula C12H18N4O5 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[4-(methoxymethoxy)cyclohexyl]-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(methoxymethoxy)cyclohexyl]-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID59862726
Molecular FormulaC12H18N4O5
Molecular Weight298.30 g/mol
Exact Mass298.13
IUPAC NameN-[4-(methoxymethoxy)cyclohexyl]-4-nitro-1H-pyrazole-5-carboxamide
SMILESCOCOC1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H18N4O5/c1-20-7-21-9-4-2-8(3-5-9)14-12(17)11-10(16(18)19)6-13-15-11/h6,8-9H,2-5,7H2,1H3,(H,13,15)(H,14,17)
InChIKeyLXNMXWSYVPFUGA-UHFFFAOYSA-N
XLogP0.98
TPSA119.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(methoxymethoxy)cyclohexyl]-4-nitro-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethoxy)cyclohexyl]-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(methoxymethoxy)cyclohexyl]-4-nitro-1H-pyrazole-5-carboxamide (CID 59862726) is N-[4-(methoxymethoxy)cyclohexyl]-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(methoxymethoxy)cyclohexyl]-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(methoxymethoxy)cyclohexyl]-4-nitro-1H-pyrazole-5-carboxamide is COCOC1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1.
What is the InChIKey of N-[4-(methoxymethoxy)cyclohexyl]-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is LXNMXWSYVPFUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O5/c1-20-7-21-9-4-2-8(3-5-9)14-12(17)11-10(16(18)19)6-13-15-11/h6,8-9H,2-5,7H2,1H3,(H,13,15)(H,14,17).
What are the key properties of N-[4-(methoxymethoxy)cyclohexyl]-4-nitro-1H-pyrazole-5-carboxamide?
N-[4-(methoxymethoxy)cyclohexyl]-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethoxy)cyclohexyl]-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59862726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).