N-(4-hydroxycyclohexyl)-4-nitro-1H-pyrazole-5-carboxamide

C10H14N4O4 — CID 59733302

IUPACN-(4-hydroxycyclohexyl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c15-7-3-1-6(2-4-7)12-10(16)9-8(14(17)18)5-11-13-9/h5-7,15H,1-4H2,(H,11,13)(H,12,16)
InChIKeyFECNFKZDMSABII-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.35
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-4-nitro-1H-pyrazole-5-carboxamide

N-(4-hydroxycyclohexyl)-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 59733302) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID59733302
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC NameN-(4-hydroxycyclohexyl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c15-7-3-1-6(2-4-7)12-10(16)9-8(14(17)18)5-11-13-9/h5-7,15H,1-4H2,(H,11,13)(H,12,16)
InChIKeyFECNFKZDMSABII-UHFFFAOYSA-N
XLogP0.35
TPSA121.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.35
H-Bond Donors ≤ 53
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-(4-hydroxycyclohexyl)-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-nitro-1H-pyrazole-5-carboxamide (CID 59733302) is N-(4-hydroxycyclohexyl)-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-nitro-1H-pyrazole-5-carboxamide is O=C(NC1CCC(O)CC1)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is FECNFKZDMSABII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c15-7-3-1-6(2-4-7)12-10(16)9-8(14(17)18)5-11-13-9/h5-7,15H,1-4H2,(H,11,13)(H,12,16).
What are the key properties of N-(4-hydroxycyclohexyl)-4-nitro-1H-pyrazole-5-carboxamide?
N-(4-hydroxycyclohexyl)-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59733302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).