N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide

C21H18N4O2 — CID 59341287

IUPACN-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESNc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C21H18N4O2/c22-18-9-8-17(20-3-1-12-27-20)13-19(18)24-21(26)16-6-4-15(5-7-16)14-25-11-2-10-23-25/h1-13H,14,22H2,(H,24,26)
InChIKeyRHHXVGWEDTUQRQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.03
Rot. Bonds5

About N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide

N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 59341287) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID59341287
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESNc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C21H18N4O2/c22-18-9-8-17(20-3-1-12-27-20)13-19(18)24-21(26)16-6-4-15(5-7-16)14-25-11-2-10-23-25/h1-13H,14,22H2,(H,24,26)
InChIKeyRHHXVGWEDTUQRQ-UHFFFAOYSA-N
XLogP4.03
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide (CID 59341287) is N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide is Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is RHHXVGWEDTUQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c22-18-9-8-17(20-3-1-12-27-20)13-19(18)24-21(26)16-6-4-15(5-7-16)14-25-11-2-10-23-25/h1-13H,14,22H2,(H,24,26).
What are the key properties of N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide?
N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 358.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 59341287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).