3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide

C19H17ClFN3O2 — CID 146123423

IUPAC3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide
SMILESCOc1cc(Cl)cc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C19H17ClFN3O2/c1-26-18-11-13(10-14(20)12-18)19(25)22-8-6-16-7-9-24(23-16)17-4-2-15(21)3-5-17/h2-5,7,9-12H,6,8H2,1H3,(H,22,25)
InChIKeyYUSMXCJBWALTRD-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.65
Rot. Bonds6

About 3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide

3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide (PubChem CID 146123423) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is 3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide
PubChem CID146123423
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Name3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide
SMILESCOc1cc(Cl)cc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C19H17ClFN3O2/c1-26-18-11-13(10-14(20)12-18)19(25)22-8-6-16-7-9-24(23-16)17-4-2-15(21)3-5-17/h2-5,7,9-12H,6,8H2,1H3,(H,22,25)
InChIKeyYUSMXCJBWALTRD-UHFFFAOYSA-N
XLogP3.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146126708
2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 167789997
2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide
CID 146128415
(2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide
CID 119336468
3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122234
3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide
CID 136578868
3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122824
N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51105926
2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride
CID 119806251
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide
CID 119336460
1-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 111494551
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 146126737

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide?
The IUPAC name of 3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide (CID 146123423) is 3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide?
The canonical SMILES for 3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide is COc1cc(Cl)cc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide?
The InChIKey is YUSMXCJBWALTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-26-18-11-13(10-14(20)12-18)19(25)22-8-6-16-7-9-24(23-16)17-4-2-15(21)3-5-17/h2-5,7,9-12H,6,8H2,1H3,(H,22,25).
What are the key properties of 3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide?
3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide has a molecular weight of 373.82 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide is sourced from PubChem (CID 146123423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).