N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide

C20H18FN3O — CID 87004293

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)c1ccccc1-n1cccn1
InChIInChI=1S/C20H18FN3O/c21-16-8-6-15(7-9-16)20(10-11-20)14-22-19(25)17-4-1-2-5-18(17)24-13-3-12-23-24/h1-9,12-13H,10-11,14H2,(H,22,25)
InChIKeyGDYJTNMNWONYJE-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.47
Rot. Bonds5

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide (PubChem CID 87004293) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide
PubChem CID87004293
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)c1ccccc1-n1cccn1
InChIInChI=1S/C20H18FN3O/c21-16-8-6-15(7-9-16)20(10-11-20)14-22-19(25)17-4-1-2-5-18(17)24-13-3-12-23-24/h1-9,12-13H,10-11,14H2,(H,22,25)
InChIKeyGDYJTNMNWONYJE-UHFFFAOYSA-N
XLogP3.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide
CID 112835532
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
CID 42265696
N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide
CID 95787834
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide
CID 134026765
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
CID 42266052
N-hexyl-2-pyrazol-1-ylbenzamide
CID 47213393
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 42266029
N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide
CID 87004304
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42266039
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 55972294

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide (CID 87004293) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide is O=C(NCC1(c2ccc(F)cc2)CC1)c1ccccc1-n1cccn1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide?
The InChIKey is GDYJTNMNWONYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-16-8-6-15(7-9-16)20(10-11-20)14-22-19(25)17-4-1-2-5-18(17)24-13-3-12-23-24/h1-9,12-13H,10-11,14H2,(H,22,25).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide has a molecular weight of 335.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 87004293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).