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

C26H28FN5O — CID 55855558

IUPACN-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1cc(C)n(Cc2cccc(CNC(=O)Cc3c(C)nn(-c4ccc(F)cc4)c3C)c2)n1
InChIInChI=1S/C26H28FN5O/c1-17-12-18(2)31(29-17)16-22-7-5-6-21(13-22)15-28-26(33)14-25-19(3)30-32(20(25)4)24-10-8-23(27)9-11-24/h5-13H,14-16H2,1-4H3,(H,28,33)
InChIKeyWAXCIHFSDVMXHY-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.35
Rot. Bonds7

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

N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 55855558) has the molecular formula C26H28FN5O and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID55855558
Molecular FormulaC26H28FN5O
Molecular Weight445.54 g/mol
Exact Mass445.23
IUPAC NameN-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1cc(C)n(Cc2cccc(CNC(=O)Cc3c(C)nn(-c4ccc(F)cc4)c3C)c2)n1
InChIInChI=1S/C26H28FN5O/c1-17-12-18(2)31(29-17)16-22-7-5-6-21(13-22)15-28-26(33)14-25-19(3)30-32(20(25)4)24-10-8-23(27)9-11-24/h5-13H,14-16H2,1-4H3,(H,28,33)
InChIKeyWAXCIHFSDVMXHY-UHFFFAOYSA-N
XLogP4.35
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55854510
CID 89224809
CID 89224809
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9377721
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55756579
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19282557
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CID 47048127
N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86997975
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-(2-fluorophenoxy)butanamide
CID 55961180
N-[2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]-2-methylpropanamide
CID 47044914
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55761518
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825769
3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249342

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 55855558) is N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1cc(C)n(Cc2cccc(CNC(=O)Cc3c(C)nn(-c4ccc(F)cc4)c3C)c2)n1.
What is the InChIKey of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is WAXCIHFSDVMXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O/c1-17-12-18(2)31(29-17)16-22-7-5-6-21(13-22)15-28-26(33)14-25-19(3)30-32(20(25)4)24-10-8-23(27)9-11-24/h5-13H,14-16H2,1-4H3,(H,28,33).
What are the key properties of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 445.54 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 55855558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).