N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide

C22H21F2N3O2 — CID 42850586

IUPACN-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
SMILESCc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CCC(=O)NC1CC1
InChIInChI=1S/C22H21F2N3O2/c1-14-20(12-13-21(28)25-17-6-7-17)22(29-19-10-4-16(24)5-11-19)27(26-14)18-8-2-15(23)3-9-18/h2-5,8-11,17H,6-7,12-13H2,1H3,(H,25,28)
InChIKeyDNJRKHDOJACSLG-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.46
Rot. Bonds7

About N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide

N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide (PubChem CID 42850586) has the molecular formula C22H21F2N3O2 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
PubChem CID42850586
Molecular FormulaC22H21F2N3O2
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
SMILESCc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CCC(=O)NC1CC1
InChIInChI=1S/C22H21F2N3O2/c1-14-20(12-13-21(28)25-17-6-7-17)22(29-19-10-4-16(24)5-11-19)27(26-14)18-8-2-15(23)3-9-18/h2-5,8-11,17H,6-7,12-13H2,1H3,(H,25,28)
InChIKeyDNJRKHDOJACSLG-UHFFFAOYSA-N
XLogP4.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 9270241
3-[1-(4-Fluorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-YL]-N-(2-methylpropyl)propanamide
CID 46042663
N,N-Diethyl-3-[1-(4-fluorophenyl)-3-methyl-5-phenoxy-1H-pyrazol-4-YL]propanamide
CID 46042751
3-[5-(3-Fluorophenoxy)-3-methyl-1-(2-methylphenyl)-1H-pyrazol-4-YL]-N-(prop-2-EN-1-YL)propanamide
CID 46042928
3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide
CID 46042434
3-[3-Ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-1H-pyrazol-4-YL]-N-(propan-2-YL)propanamide
CID 46042436
N,N-Diethyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-1H-pyrazol-4-YL]propanamide
CID 46042448
3-[3-Ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-1H-pyrazol-4-YL]-1-(thiomorpholin-4-YL)propan-1-one
CID 46042450
3-[3-Ethyl-1-(4-fluorophenyl)-5-phenoxy-1H-pyrazol-4-YL]-N-[(oxolan-2-YL)methyl]propanamide
CID 46042487
3-[3-Ethyl-1-(4-fluorophenyl)-5-phenoxypyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46042488
3-[5-(2,4-Difluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-YL]-N-(2-methoxyethyl)propanamide
CID 46042641
3-[5-(2,4-Difluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-YL]-N-(prop-2-EN-1-YL)propanamide
CID 46042655

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide (CID 42850586) is N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide is Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide?
The InChIKey is DNJRKHDOJACSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O2/c1-14-20(12-13-21(28)25-17-6-7-17)22(29-19-10-4-16(24)5-11-19)27(26-14)18-8-2-15(23)3-9-18/h2-5,8-11,17H,6-7,12-13H2,1H3,(H,25,28).
What are the key properties of N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide?
N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide has a molecular weight of 397.43 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide is sourced from PubChem (CID 42850586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).