3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide

C19H18N4O3 — CID 100819977

IUPAC3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide
SMILESC[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C19H18N4O3/c1-13(19(25)21-15-7-5-6-14(12-15)18(20)24)26-17-10-11-23(22-17)16-8-3-2-4-9-16/h2-13H,1H3,(H2,20,24)(H,21,25)/t13-/m0/s1
InChIKeyOHPFFLFHODVOFS-ZDUSSCGKSA-N
MW350.38 g/mol
LogP2.38
Rot. Bonds6

About 3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide

3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide (PubChem CID 100819977) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide
PubChem CID100819977
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide
SMILESC[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C19H18N4O3/c1-13(19(25)21-15-7-5-6-14(12-15)18(20)24)26-17-10-11-23(22-17)16-8-3-2-4-9-16/h2-13H,1H3,(H2,20,24)(H,21,25)/t13-/m0/s1
InChIKeyOHPFFLFHODVOFS-ZDUSSCGKSA-N
XLogP2.38
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-phenyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819963
3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide
CID 100819794
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100828981
(2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819911
3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide
CID 95706030
(2S)-N-cyclopentyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819947
(2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100828980
(2R)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100828979
(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705759
3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
(1-anilino-1-oxopropan-2-yl) 3-(tetrazol-1-yl)benzoate
CID 18081042
N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 50791497

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide?
The IUPAC name of 3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide (CID 100819977) is 3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide.
What is the SMILES notation for 3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide?
The canonical SMILES for 3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide is C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide?
The InChIKey is OHPFFLFHODVOFS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13(19(25)21-15-7-5-6-14(12-15)18(20)24)26-17-10-11-23(22-17)16-8-3-2-4-9-16/h2-13H,1H3,(H2,20,24)(H,21,25)/t13-/m0/s1.
What are the key properties of 3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide?
3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide has a molecular weight of 350.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide is sourced from PubChem (CID 100819977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).