N-(1-benzylpyrazol-3-yl)-1H-indazole-3-carboxamide

C18H15N5O — CID 90656736

IUPACN-(1-benzylpyrazol-3-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccc2)n1)c1n[nH]c2ccccc12
InChIInChI=1S/C18H15N5O/c24-18(17-14-8-4-5-9-15(14)20-21-17)19-16-10-11-23(22-16)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21)(H,19,22,24)
InChIKeyROTNBUUBXYMMSX-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.06
Rot. Bonds4

About N-(1-benzylpyrazol-3-yl)-1H-indazole-3-carboxamide

N-(1-benzylpyrazol-3-yl)-1H-indazole-3-carboxamide (PubChem CID 90656736) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-1H-indazole-3-carboxamide
PubChem CID90656736
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-(1-benzylpyrazol-3-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccc2)n1)c1n[nH]c2ccccc12
InChIInChI=1S/C18H15N5O/c24-18(17-14-8-4-5-9-15(14)20-21-17)19-16-10-11-23(22-16)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21)(H,19,22,24)
InChIKeyROTNBUUBXYMMSX-UHFFFAOYSA-N
XLogP3.06
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-1H-indazole-3-carboxamide (CID 90656736) is N-(1-benzylpyrazol-3-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-1H-indazole-3-carboxamide is O=C(Nc1ccn(Cc2ccccc2)n1)c1n[nH]c2ccccc12.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-1H-indazole-3-carboxamide?
The InChIKey is ROTNBUUBXYMMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c24-18(17-14-8-4-5-9-15(14)20-21-17)19-16-10-11-23(22-16)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21)(H,19,22,24).
What are the key properties of N-(1-benzylpyrazol-3-yl)-1H-indazole-3-carboxamide?
N-(1-benzylpyrazol-3-yl)-1H-indazole-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 90656736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).