N-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide

C17H13N5O — CID 36561549

IUPACN-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H13N5O/c23-17(20-14-5-2-13-11-18-21-16(13)10-14)12-3-6-15(7-4-12)22-9-1-8-19-22/h1-11H,(H,18,21)(H,20,23)
InChIKeyWNSHOYJRPJJTIR-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.00
Rot. Bonds3

About N-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide

N-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide (PubChem CID 36561549) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide
PubChem CID36561549
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC NameN-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H13N5O/c23-17(20-14-5-2-13-11-18-21-16(13)10-14)12-3-6-15(7-4-12)22-9-1-8-19-22/h1-11H,(H,18,21)(H,20,23)
InChIKeyWNSHOYJRPJJTIR-UHFFFAOYSA-N
XLogP3.00
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide (CID 36561549) is N-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide is O=C(Nc1ccc2cn[nH]c2c1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide?
The InChIKey is WNSHOYJRPJJTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c23-17(20-14-5-2-13-11-18-21-16(13)10-14)12-3-6-15(7-4-12)22-9-1-8-19-22/h1-11H,(H,18,21)(H,20,23).
What are the key properties of N-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide?
N-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide has a molecular weight of 303.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 36561549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).