N-cyclopropyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide

C23H24FN3O2 — CID 42850402

IUPACN-cyclopropyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide
SMILESCCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CCC(=O)NC1CC1
InChIInChI=1S/C23H24FN3O2/c1-2-20-18(14-15-22(28)25-16-12-13-16)23(29-21-11-7-6-10-19(21)24)27(26-20)17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3,(H,25,28)
InChIKeyXIRURXVAKRFVLD-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.58
Rot. Bonds8

About N-cyclopropyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide

N-cyclopropyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide (PubChem CID 42850402) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide
PubChem CID42850402
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC NameN-cyclopropyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide
SMILESCCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CCC(=O)NC1CC1
InChIInChI=1S/C23H24FN3O2/c1-2-20-18(14-15-22(28)25-16-12-13-16)23(29-21-11-7-6-10-19(21)24)27(26-20)17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3,(H,25,28)
InChIKeyXIRURXVAKRFVLD-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[3-ethyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]propanamide
CID 46042373
3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850403
N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide
CID 42850422
2-chloro-N-cyclopropyl-N-[[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51068869
N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 42850586
3-ethyl-1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 93136156
N-[[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93135862
N-ethyl-3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-methylpropanamide
CID 46043116
N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042766
3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 46042389
N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide
CID 46042471
3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 46043113

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide (CID 42850402) is N-cyclopropyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide is CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide?
The InChIKey is XIRURXVAKRFVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-2-20-18(14-15-22(28)25-16-12-13-16)23(29-21-11-7-6-10-19(21)24)27(26-20)17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3,(H,25,28).
What are the key properties of N-cyclopropyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide?
N-cyclopropyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide has a molecular weight of 393.46 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide is sourced from PubChem (CID 42850402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).