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

C10H10N6O4 — CID 5298143

IUPACN-cyclopropyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CC1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1
InChIInChI=1S/C10H10N6O4/c17-9(11-6-1-2-6)10-12-7(14-20-10)5-15-4-3-8(13-15)16(18)19/h3-4,6H,1-2,5H2,(H,11,17)
InChIKeyKXAQFUUAATTYHY-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.11
Rot. Bonds5

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

N-cyclopropyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 5298143) has the molecular formula C10H10N6O4 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID5298143
Molecular FormulaC10H10N6O4
Molecular Weight278.23 g/mol
Exact Mass278.08
IUPAC NameN-cyclopropyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CC1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1
InChIInChI=1S/C10H10N6O4/c17-9(11-6-1-2-6)10-12-7(14-20-10)5-15-4-3-8(13-15)16(18)19/h3-4,6H,1-2,5H2,(H,11,17)
InChIKeyKXAQFUUAATTYHY-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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Related Compounds

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CID 5299771
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CID 5299778
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CID 8027145
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CID 53606012
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CID 53618403
CID 53618403
CID 53626023
CID 53626023
CID 91839701
CID 91839701
CID 126445931
CID 126445931
CID 127319297
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CID 75500785
CID 75500785

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 5298143) is N-cyclopropyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NC1CC1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1.
What is the InChIKey of N-cyclopropyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is KXAQFUUAATTYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O4/c17-9(11-6-1-2-6)10-12-7(14-20-10)5-15-4-3-8(13-15)16(18)19/h3-4,6H,1-2,5H2,(H,11,17).
What are the key properties of N-cyclopropyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
N-cyclopropyl-3-[(3-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-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 5298143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).