1-(3-amino-5-nitrophenyl)pyrazole-3-carboxamide

C10H9N5O3 — CID 80867849

IUPAC1-(3-amino-5-nitrophenyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2cc(N)cc([N+](=O)[O-])c2)n1
InChIInChI=1S/C10H9N5O3/c11-6-3-7(5-8(4-6)15(17)18)14-2-1-9(13-14)10(12)16/h1-5H,11H2,(H2,12,16)
InChIKeyWVTPSLNDEKKCRY-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.46
Rot. Bonds3

About 1-(3-amino-5-nitrophenyl)pyrazole-3-carboxamide

1-(3-amino-5-nitrophenyl)pyrazole-3-carboxamide (PubChem CID 80867849) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 1-(3-amino-5-nitrophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-5-nitrophenyl)pyrazole-3-carboxamide
PubChem CID80867849
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name1-(3-amino-5-nitrophenyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2cc(N)cc([N+](=O)[O-])c2)n1
InChIInChI=1S/C10H9N5O3/c11-6-3-7(5-8(4-6)15(17)18)14-2-1-9(13-14)10(12)16/h1-5H,11H2,(H2,12,16)
InChIKeyWVTPSLNDEKKCRY-UHFFFAOYSA-N
XLogP0.46
TPSA130.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 1-(3-amino-5-nitrophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-amino-5-nitrophenyl)pyrazole-3-carboxamide (CID 80867849) is 1-(3-amino-5-nitrophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-amino-5-nitrophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-amino-5-nitrophenyl)pyrazole-3-carboxamide is NC(=O)c1ccn(-c2cc(N)cc([N+](=O)[O-])c2)n1.
What is the InChIKey of 1-(3-amino-5-nitrophenyl)pyrazole-3-carboxamide?
The InChIKey is WVTPSLNDEKKCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c11-6-3-7(5-8(4-6)15(17)18)14-2-1-9(13-14)10(12)16/h1-5H,11H2,(H2,12,16).
What are the key properties of 1-(3-amino-5-nitrophenyl)pyrazole-3-carboxamide?
1-(3-amino-5-nitrophenyl)pyrazole-3-carboxamide has a molecular weight of 247.21 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-nitrophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 80867849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).