N-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide

C14H16FN3O2 — CID 43647382

IUPACN-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2)c(C)c1CO
InChIInChI=1S/C14H16FN3O2/c1-9-13(8-19)10(2)18(17-9)7-14(20)16-12-5-3-11(15)4-6-12/h3-6,19H,7-8H2,1-2H3,(H,16,20)
InChIKeyNLMCAVQUYPNWHH-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.77
Rot. Bonds4

About N-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide (PubChem CID 43647382) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide
PubChem CID43647382
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2)c(C)c1CO
InChIInChI=1S/C14H16FN3O2/c1-9-13(8-19)10(2)18(17-9)7-14(20)16-12-5-3-11(15)4-6-12/h3-6,19H,7-8H2,1-2H3,(H,16,20)
InChIKeyNLMCAVQUYPNWHH-UHFFFAOYSA-N
XLogP1.77
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylphenyl)acetamide
CID 43647377
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 43647566
2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 71918815
N-(4-fluorophenyl)-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide
CID 66399525
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-carbamothioylphenyl)acetamide
CID 62128720
N-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 36660035
3-[1-[2-(4-fluoroanilino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118172635
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26845085
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 15943425
N-(4-fluorophenyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide
CID 63926062
2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 829145
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide
CID 104775388

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide (CID 43647382) is N-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide is Cc1nn(CC(=O)Nc2ccc(F)cc2)c(C)c1CO.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide?
The InChIKey is NLMCAVQUYPNWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-9-13(8-19)10(2)18(17-9)7-14(20)16-12-5-3-11(15)4-6-12/h3-6,19H,7-8H2,1-2H3,(H,16,20).
What are the key properties of N-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide has a molecular weight of 277.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide is sourced from PubChem (CID 43647382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).