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

C10H16N4O3 — CID 118417838

IUPAC4-amino-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol
SMILESNC1CCC(O)(Cn2cc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C10H16N4O3/c11-8-1-3-10(15,4-2-8)7-13-6-9(5-12-13)14(16)17/h5-6,8,15H,1-4,7,11H2
InChIKeyRMGSFLNQWAQPKZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.42
Rot. Bonds3

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

4-amino-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol (PubChem CID 118417838) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-amino-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol
PubChem CID118417838
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-amino-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol
SMILESNC1CCC(O)(Cn2cc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C10H16N4O3/c11-8-1-3-10(15,4-2-8)7-13-6-9(5-12-13)14(16)17/h5-6,8,15H,1-4,7,11H2
InChIKeyRMGSFLNQWAQPKZ-UHFFFAOYSA-N
XLogP0.42
TPSA107.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-amino-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-amino-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol (CID 118417838) is 4-amino-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-amino-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol is NC1CCC(O)(Cn2cc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of 4-amino-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is RMGSFLNQWAQPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c11-8-1-3-10(15,4-2-8)7-13-6-9(5-12-13)14(16)17/h5-6,8,15H,1-4,7,11H2.
What are the key properties of 4-amino-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol?
4-amino-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 240.26 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 118417838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).