N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

C16H16FN5O — CID 84596558

IUPACN-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)n[nH]1
InChIInChI=1S/C16H16FN5O/c1-10-6-13(20-19-10)9-16(23)18-15-7-11(2)22(21-15)14-5-3-4-12(17)8-14/h3-8H,9H2,1-2H3,(H,19,20)(H,18,21,23)
InChIKeyXOPHAONREOJHOW-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.53
Rot. Bonds4

About N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 84596558) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID84596558
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC NameN-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)n[nH]1
InChIInChI=1S/C16H16FN5O/c1-10-6-13(20-19-10)9-16(23)18-15-7-11(2)22(21-15)14-5-3-4-12(17)8-14/h3-8H,9H2,1-2H3,(H,19,20)(H,18,21,23)
InChIKeyXOPHAONREOJHOW-UHFFFAOYSA-N
XLogP2.53
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluorophenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 110862703
1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea
CID 166237459
2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide
CID 46107138
2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide
CID 91651156
2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 71922145
N-(2H-benzotriazol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 71918400
N-(2,4-dimethylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 110857186
1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
CID 110001487
N-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluoro-3-hydroxyphenyl)acetamide
CID 167788312
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide
CID 10251870
1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea
CID 75483645
2-(5-methyl-1H-pyrazol-3-yl)-N-(2-naphthalen-1-yl-2-oxoethyl)acetamide
CID 75435377

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 84596558) is N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(CC(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)n[nH]1.
What is the InChIKey of N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is XOPHAONREOJHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-10-6-13(20-19-10)9-16(23)18-15-7-11(2)22(21-15)14-5-3-4-12(17)8-14/h3-8H,9H2,1-2H3,(H,19,20)(H,18,21,23).
What are the key properties of N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 313.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 84596558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).