N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide

C14H16FN3O — CID 19415003

IUPACN-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide
SMILESCCn1nccc1C(C)NC(=O)c1cccc(F)c1
InChIInChI=1S/C14H16FN3O/c1-3-18-13(7-8-16-18)10(2)17-14(19)11-5-4-6-12(15)9-11/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyJCADTFJCCMRYKX-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.53
Rot. Bonds4

About N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide

N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide (PubChem CID 19415003) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide
PubChem CID19415003
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide
SMILESCCn1nccc1C(C)NC(=O)c1cccc(F)c1
InChIInChI=1S/C14H16FN3O/c1-3-18-13(7-8-16-18)10(2)17-14(19)11-5-4-6-12(15)9-11/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyJCADTFJCCMRYKX-UHFFFAOYSA-N
XLogP2.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-[(2,4,6-trichlorophenoxy)methyl]benzamide
CID 19415033
3-[(4-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19414975
2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19415098
3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19415058
2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19414972
3-[(3-fluorobenzoyl)amino]butanoic acid
CID 43240622
4-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 51388652
2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485649
1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 19280086
2-[(3-fluorobenzoyl)amino]-3-methylpentanoic acid
CID 16774745
3-fluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 9186371
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513124

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide (CID 19415003) is N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide is CCn1nccc1C(C)NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide?
The InChIKey is JCADTFJCCMRYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-18-13(7-8-16-18)10(2)17-14(19)11-5-4-6-12(15)9-11/h4-10H,3H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide?
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide has a molecular weight of 261.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 19415003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).