N-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide

C10H14N4O3 — CID 135497973

IUPACN-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc([N+](=O)[O-])[nH]n1
InChIInChI=1S/C10H14N4O3/c15-10(11-7-4-2-1-3-5-7)8-6-9(13-12-8)14(16)17/h6-7H,1-5H2,(H,11,15)(H,12,13)
InChIKeyBAYTWIDMJVOLMK-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.38
Rot. Bonds3

About N-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide

N-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide (PubChem CID 135497973) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide
PubChem CID135497973
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc([N+](=O)[O-])[nH]n1
InChIInChI=1S/C10H14N4O3/c15-10(11-7-4-2-1-3-5-7)8-6-9(13-12-8)14(16)17/h6-7H,1-5H2,(H,11,15)(H,12,13)
InChIKeyBAYTWIDMJVOLMK-UHFFFAOYSA-N
XLogP1.38
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-5-nitro-1H-pyrazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide (CID 135497973) is N-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide is O=C(NC1CCCCC1)c1cc([N+](=O)[O-])[nH]n1.
What is the InChIKey of N-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide?
The InChIKey is BAYTWIDMJVOLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-10(11-7-4-2-1-3-5-7)8-6-9(13-12-8)14(16)17/h6-7H,1-5H2,(H,11,15)(H,12,13).
What are the key properties of N-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide?
N-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135497973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).