N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methoxy-2-methylbenzamide

C19H18FN3O2 — CID 19336527

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)c1C
InChIInChI=1S/C19H18FN3O2/c1-13-17(7-4-8-18(13)25-2)19(24)22-16-10-21-23(12-16)11-14-5-3-6-15(20)9-14/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyTXPQLVDXHIDOIE-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.64
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methoxy-2-methylbenzamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methoxy-2-methylbenzamide (PubChem CID 19336527) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methoxy-2-methylbenzamide
PubChem CID19336527
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)c1C
InChIInChI=1S/C19H18FN3O2/c1-13-17(7-4-8-18(13)25-2)19(24)22-16-10-21-23(12-16)11-14-5-3-6-15(20)9-14/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyTXPQLVDXHIDOIE-UHFFFAOYSA-N
XLogP3.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methoxy-2-methylbenzamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methoxy-2-methylbenzamide (CID 19336527) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methoxy-2-methylbenzamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methoxy-2-methylbenzamide is COc1cccc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)c1C.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methoxy-2-methylbenzamide?
The InChIKey is TXPQLVDXHIDOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13-17(7-4-8-18(13)25-2)19(24)22-16-10-21-23(12-16)11-14-5-3-6-15(20)9-14/h3-10,12H,11H2,1-2H3,(H,22,24).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methoxy-2-methylbenzamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methoxy-2-methylbenzamide has a molecular weight of 339.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methoxy-2-methylbenzamide is sourced from PubChem (CID 19336527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).