N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide

C23H24FN3O2 — CID 47044966

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C23H24FN3O2/c1-15-21(16(2)27(26-15)20-9-7-19(24)8-10-20)12-23(28)25-13-17-11-18-5-3-4-6-22(18)29-14-17/h3-10,17H,11-14H2,1-2H3,(H,25,28)
InChIKeyHRLQKJYRDDKDKM-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.54
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 47044966) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID47044966
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C23H24FN3O2/c1-15-21(16(2)27(26-15)20-9-7-19(24)8-10-20)12-23(28)25-13-17-11-18-5-3-4-6-22(18)29-14-17/h3-10,17H,11-14H2,1-2H3,(H,25,28)
InChIKeyHRLQKJYRDDKDKM-UHFFFAOYSA-N
XLogP3.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
CID 55394774
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119462604
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120948428
N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86997975
N-[2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]-2-methylpropanamide
CID 47044914
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55912090
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]acetamide
CID 125163939
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 72875290
3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249342
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55761518

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 47044966) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCC1COc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is HRLQKJYRDDKDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-15-21(16(2)27(26-15)20-9-7-19(24)8-10-20)12-23(28)25-13-17-11-18-5-3-4-6-22(18)29-14-17/h3-10,17H,11-14H2,1-2H3,(H,25,28).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 393.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 47044966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).