N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide

C13H14FN3O — CID 708832

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
SMILESCc1nn(C)cc1CNC(=O)c1cccc(F)c1
InChIInChI=1S/C13H14FN3O/c1-9-11(8-17(2)16-9)7-15-13(18)10-4-3-5-12(14)6-10/h3-6,8H,7H2,1-2H3,(H,15,18)
InChIKeyZBPDHYJQLWVUJX-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.80
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide (PubChem CID 708832) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
PubChem CID708832
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
SMILESCc1nn(C)cc1CNC(=O)c1cccc(F)c1
InChIInChI=1S/C13H14FN3O/c1-9-11(8-17(2)16-9)7-15-13(18)10-4-3-5-12(14)6-10/h3-6,8H,7H2,1-2H3,(H,15,18)
InChIKeyZBPDHYJQLWVUJX-UHFFFAOYSA-N
XLogP1.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 716930
N4-(4-fluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2808002
4-chloro-1-(4-fluorobenzoyl)-1H-pyrazole
CID 674652
N-(4-fluorobenzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1502164
N-[(E)-1-[4-[(3-fluorobenzoyl)amino]phenyl]ethylideneamino]-1-methylpyrazole-3-carboxamide
CID 7695693
(1,3-dimethyl-1H-pyrazol-4-yl)(phenyl)methanone
CID 673348
Ab-chfupyca
CID 122213879
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}acetamide
CID 833517
CID 155557232
CID 155557232
(1H-pyrazol-1-yl)(o-tolyl)methanone
CID 685230
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}butanamide
CID 833520
N-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 833522

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide (CID 708832) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide is Cc1nn(C)cc1CNC(=O)c1cccc(F)c1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide?
The InChIKey is ZBPDHYJQLWVUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9-11(8-17(2)16-9)7-15-13(18)10-4-3-5-12(14)6-10/h3-6,8H,7H2,1-2H3,(H,15,18).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide has a molecular weight of 247.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 708832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).