N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(3-hydroxyphenyl)acetamide

C18H16FN3O2 — CID 75395476

IUPACN-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NCc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3O2/c19-14-4-6-16(7-5-14)22-9-8-15(21-22)12-20-18(24)11-13-2-1-3-17(23)10-13/h1-10,23H,11-12H2,(H,20,24)
InChIKeyOZDOZTLSBHQHQD-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.58
Rot. Bonds5

About N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(3-hydroxyphenyl)acetamide

N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 75395476) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(3-hydroxyphenyl)acetamide
PubChem CID75395476
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NCc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3O2/c19-14-4-6-16(7-5-14)22-9-8-15(21-22)12-20-18(24)11-13-2-1-3-17(23)10-13/h1-10,23H,11-12H2,(H,20,24)
InChIKeyOZDOZTLSBHQHQD-UHFFFAOYSA-N
XLogP2.58
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxyphenyl)-N-[(5-isobutyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide
CID 70772509
(3S,7S,8aS)-7-({[1-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl}amino)-3-(4-hydroxybenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 56857953
(3S,7S,8aS)-7-({[1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}amino)-3-(4-hydroxybenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 56859951
2-(3-hydroxyphenyl)-N-methyl-N-[4-(1H-pyrazol-1-yl)benzyl]acetamide
CID 56881882
N-(4-hydroxy-2-methylphenyl)-2-(1-phenylpyrazol-3-yl)acetamide
CID 71971436
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(3-hydroxyphenyl)acetamide
CID 91764393
2-(3-hydroxyphenyl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
CID 97244726
(3R,7S,8aS)-7-({[1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}amino)-3-(4-hydroxybenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 126461021
(3R,7S,8aS)-7-({[1-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl}amino)-3-(4-hydroxybenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 126461133
(7R,9aR)-2-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-7-[(4-hydroxyphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 126461264
(7S,9aR)-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-7-[(4-hydroxyphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 126461503
(7R,9aR)-2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-7-[(4-hydroxyphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 126461650

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(3-hydroxyphenyl)acetamide (CID 75395476) is N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)NCc1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is OZDOZTLSBHQHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-14-4-6-16(7-5-14)22-9-8-15(21-22)12-20-18(24)11-13-2-1-3-17(23)10-13/h1-10,23H,11-12H2,(H,20,24).
What are the key properties of N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(3-hydroxyphenyl)acetamide?
N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 325.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 75395476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).