N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-methylbenzamide

C17H14FN3O — CID 846018

IUPACN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3ccc(F)cc3)[nH]n2)c1
InChIInChI=1S/C17H14FN3O/c1-11-3-2-4-13(9-11)17(22)19-16-10-15(20-21-16)12-5-7-14(18)8-6-12/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyBEOZXJOMZRZFHB-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.78
Rot. Bonds3

About N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-methylbenzamide

N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-methylbenzamide (PubChem CID 846018) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-methylbenzamide
PubChem CID846018
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3ccc(F)cc3)[nH]n2)c1
InChIInChI=1S/C17H14FN3O/c1-11-3-2-4-13(9-11)17(22)19-16-10-15(20-21-16)12-5-7-14(18)8-6-12/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyBEOZXJOMZRZFHB-UHFFFAOYSA-N
XLogP3.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-methylbenzamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-methylbenzamide (CID 846018) is N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-methylbenzamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-methylbenzamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(-c3ccc(F)cc3)[nH]n2)c1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-methylbenzamide?
The InChIKey is BEOZXJOMZRZFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-11-3-2-4-13(9-11)17(22)19-16-10-15(20-21-16)12-5-7-14(18)8-6-12/h2-10H,1H3,(H2,19,20,21,22).
What are the key properties of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-methylbenzamide?
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-methylbenzamide has a molecular weight of 295.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-methylbenzamide is sourced from PubChem (CID 846018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).