3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide

C19H16F3N3O2 — CID 38033181

IUPAC3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)27-17-8-4-5-15(11-17)24-18(26)10-9-14-12-23-25(13-14)16-6-2-1-3-7-16/h1-8,11-13H,9-10H2,(H,24,26)
InChIKeyDORYKLQUZMDRGU-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.34
Rot. Bonds6

About 3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide

3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide (PubChem CID 38033181) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
PubChem CID38033181
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)27-17-8-4-5-15(11-17)24-18(26)10-9-14-12-23-25(13-14)16-6-2-1-3-7-16/h1-8,11-13H,9-10H2,(H,24,26)
InChIKeyDORYKLQUZMDRGU-UHFFFAOYSA-N
XLogP4.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 56508207
3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 55610931
N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 75510980
3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38034874
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466691
N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35532642
[2-(3-cyanoanilino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031201
N-(2-ethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466144
N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 26782133
4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 112812529

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide (CID 38033181) is 3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide is O=C(CCc1cnn(-c2ccccc2)c1)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is DORYKLQUZMDRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)27-17-8-4-5-15(11-17)24-18(26)10-9-14-12-23-25(13-14)16-6-2-1-3-7-16/h1-8,11-13H,9-10H2,(H,24,26).
What are the key properties of 3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 375.35 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 38033181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).