N-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C10H10N6O4 — CID 5297979

IUPACN-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CC1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1
InChIInChI=1S/C10H10N6O4/c17-9(12-6-1-2-6)10-13-8(14-20-10)5-15-4-7(3-11-15)16(18)19/h3-4,6H,1-2,5H2,(H,12,17)
InChIKeyOJLBYXNDJFCPHC-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.11
Rot. Bonds5

About N-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

N-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 5297979) has the molecular formula C10H10N6O4 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID5297979
Molecular FormulaC10H10N6O4
Molecular Weight278.23 g/mol
Exact Mass278.08
IUPAC NameN-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CC1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1
InChIInChI=1S/C10H10N6O4/c17-9(12-6-1-2-6)10-13-8(14-20-10)5-15-4-7(3-11-15)16(18)19/h3-4,6H,1-2,5H2,(H,12,17)
InChIKeyOJLBYXNDJFCPHC-UHFFFAOYSA-N
XLogP0.11
TPSA128.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 5297979) is N-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NC1CC1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1.
What is the InChIKey of N-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is OJLBYXNDJFCPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O4/c17-9(12-6-1-2-6)10-13-8(14-20-10)5-15-4-7(3-11-15)16(18)19/h3-4,6H,1-2,5H2,(H,12,17).
What are the key properties of N-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
N-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 278.23 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 5297979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).