1-(3-nitrophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-3-carboxamide

C19H15N7O3 — CID 38604575

IUPAC1-(3-nitrophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1cccnc1-n1cccn1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C19H15N7O3/c27-19(21-13-14-4-2-8-20-18(14)25-10-3-9-22-25)17-7-11-24(23-17)15-5-1-6-16(12-15)26(28)29/h1-12H,13H2,(H,21,27)
InChIKeyFGXXXRXBCGVXAU-UHFFFAOYSA-N
MW389.38 g/mol
LogP2.29
Rot. Bonds6

About 1-(3-nitrophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-3-carboxamide

1-(3-nitrophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-3-carboxamide (PubChem CID 38604575) has the molecular formula C19H15N7O3 and a molecular weight of 389.38 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-nitrophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-3-carboxamide
PubChem CID38604575
Molecular FormulaC19H15N7O3
Molecular Weight389.38 g/mol
Exact Mass389.12
IUPAC Name1-(3-nitrophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1cccnc1-n1cccn1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C19H15N7O3/c27-19(21-13-14-4-2-8-20-18(14)25-10-3-9-22-25)17-7-11-24(23-17)15-5-1-6-16(12-15)26(28)29/h1-12H,13H2,(H,21,27)
InChIKeyFGXXXRXBCGVXAU-UHFFFAOYSA-N
XLogP2.29
TPSA120.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 52.29
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 1-(3-nitrophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-nitrophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-3-carboxamide (CID 38604575) is 1-(3-nitrophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-nitrophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-nitrophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-3-carboxamide is O=C(NCc1cccnc1-n1cccn1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 1-(3-nitrophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-3-carboxamide?
The InChIKey is FGXXXRXBCGVXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O3/c27-19(21-13-14-4-2-8-20-18(14)25-10-3-9-22-25)17-7-11-24(23-17)15-5-1-6-16(12-15)26(28)29/h1-12H,13H2,(H,21,27).
What are the key properties of 1-(3-nitrophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-3-carboxamide?
1-(3-nitrophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-3-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 38604575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).