4-(chloroamino)-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol

C10H15ClN4O3 — CID 118425834

IUPAC4-(chloroamino)-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol
SMILESO=[N+]([O-])c1cnn(CC2(O)CCC(NCl)CC2)c1
InChIInChI=1S/C10H15ClN4O3/c11-13-8-1-3-10(16,4-2-8)7-14-6-9(5-12-14)15(17)18/h5-6,8,13,16H,1-4,7H2
InChIKeyGKEOLFLCNSDLIR-UHFFFAOYSA-N
MW274.71 g/mol
LogP1.21
Rot. Bonds4

About 4-(chloroamino)-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol

4-(chloroamino)-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol (PubChem CID 118425834) has the molecular formula C10H15ClN4O3 and a molecular weight of 274.71 g/mol. Its IUPAC name is 4-(chloroamino)-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-(chloroamino)-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol
PubChem CID118425834
Molecular FormulaC10H15ClN4O3
Molecular Weight274.71 g/mol
Exact Mass274.08
IUPAC Name4-(chloroamino)-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol
SMILESO=[N+]([O-])c1cnn(CC2(O)CCC(NCl)CC2)c1
InChIInChI=1S/C10H15ClN4O3/c11-13-8-1-3-10(16,4-2-8)7-14-6-9(5-12-14)15(17)18/h5-6,8,13,16H,1-4,7H2
InChIKeyGKEOLFLCNSDLIR-UHFFFAOYSA-N
XLogP1.21
TPSA93.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'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 4-(chloroamino)-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-(chloroamino)-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol (CID 118425834) is 4-(chloroamino)-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-(chloroamino)-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-(chloroamino)-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol is O=[N+]([O-])c1cnn(CC2(O)CCC(NCl)CC2)c1.
What is the InChIKey of 4-(chloroamino)-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is GKEOLFLCNSDLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O3/c11-13-8-1-3-10(16,4-2-8)7-14-6-9(5-12-14)15(17)18/h5-6,8,13,16H,1-4,7H2.
What are the key properties of 4-(chloroamino)-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol?
4-(chloroamino)-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 274.71 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloroamino)-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 118425834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).