N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-fluorobenzamide

C21H19FN4O — CID 53196031

IUPACN-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-fluorobenzamide
SMILESCCn1c(-c2cc(NC(=O)c3ccccc3F)n[nH]2)c(C)c2ccccc21
InChIInChI=1S/C21H19FN4O/c1-3-26-18-11-7-5-8-14(18)13(2)20(26)17-12-19(25-24-17)23-21(27)15-9-4-6-10-16(15)22/h4-12H,3H2,1-2H3,(H2,23,24,25,27)
InChIKeyXSIDEVLWALVPDQ-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.75
Rot. Bonds4

About N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-fluorobenzamide

N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-fluorobenzamide (PubChem CID 53196031) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-fluorobenzamide
PubChem CID53196031
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC NameN-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-fluorobenzamide
SMILESCCn1c(-c2cc(NC(=O)c3ccccc3F)n[nH]2)c(C)c2ccccc21
InChIInChI=1S/C21H19FN4O/c1-3-26-18-11-7-5-8-14(18)13(2)20(26)17-12-19(25-24-17)23-21(27)15-9-4-6-10-16(15)22/h4-12H,3H2,1-2H3,(H2,23,24,25,27)
InChIKeyXSIDEVLWALVPDQ-UHFFFAOYSA-N
XLogP4.75
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 53196042
4-bromo-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide
CID 53196047
N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-3,5-dimethoxybenzamide
CID 53196029
3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide
CID 53196058
N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide
CID 53196056
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207
N-(9-ethylcarbazol-3-yl)-2-fluorobenzamide
CID 3128405
1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501570
1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110501576
1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide
CID 110501591
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 855627
N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide
CID 46328403

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-fluorobenzamide (CID 53196031) is N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-fluorobenzamide is CCn1c(-c2cc(NC(=O)c3ccccc3F)n[nH]2)c(C)c2ccccc21.
What is the InChIKey of N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-fluorobenzamide?
The InChIKey is XSIDEVLWALVPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-3-26-18-11-7-5-8-14(18)13(2)20(26)17-12-19(25-24-17)23-21(27)15-9-4-6-10-16(15)22/h4-12H,3H2,1-2H3,(H2,23,24,25,27).
What are the key properties of N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-fluorobenzamide?
N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-fluorobenzamide has a molecular weight of 362.41 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 53196031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).