N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide

C23H24FN3O2 — CID 46043146

IUPACN-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide
SMILESCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CCC(=O)NCC1CC1
InChIInChI=1S/C23H24FN3O2/c1-16-21(13-14-22(28)25-15-17-7-8-17)23(29-20-11-9-18(24)10-12-20)27(26-16)19-5-3-2-4-6-19/h2-6,9-12,17H,7-8,13-15H2,1H3,(H,25,28)
InChIKeyXLVTVJRWYWWDMT-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.57
Rot. Bonds8

About N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide

N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide (PubChem CID 46043146) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide
PubChem CID46043146
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC NameN-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide
SMILESCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CCC(=O)NCC1CC1
InChIInChI=1S/C23H24FN3O2/c1-16-21(13-14-22(28)25-15-17-7-8-17)23(29-20-11-9-18(24)10-12-20)27(26-16)19-5-3-2-4-6-19/h2-6,9-12,17H,7-8,13-15H2,1H3,(H,25,28)
InChIKeyXLVTVJRWYWWDMT-UHFFFAOYSA-N
XLogP4.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide
CID 42850693
3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide
CID 46043139
N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 42850586
N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 46043085
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 93328746
N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 42850588
N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042530
3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42850574
N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide
CID 42850422
3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 46042535
N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042766
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042528

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide (CID 46043146) is N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide is Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CCC(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide?
The InChIKey is XLVTVJRWYWWDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-16-21(13-14-22(28)25-15-17-7-8-17)23(29-20-11-9-18(24)10-12-20)27(26-16)19-5-3-2-4-6-19/h2-6,9-12,17H,7-8,13-15H2,1H3,(H,25,28).
What are the key properties of N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide?
N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide has a molecular weight of 393.46 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide is sourced from PubChem (CID 46043146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).