N,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide

C24H28FN3O3 — CID 46042678

IUPACN,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide
SMILESCCN(CC)C(=O)CCc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1OC
InChIInChI=1S/C24H28FN3O3/c1-5-27(6-2)23(29)16-15-20-17(3)26-28(19-13-11-18(25)12-14-19)24(20)31-22-10-8-7-9-21(22)30-4/h7-14H,5-6,15-16H2,1-4H3
InChIKeyGNSDNPHXGORFFI-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.92
Rot. Bonds9

About N,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide

N,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide (PubChem CID 46042678) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is N,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide
PubChem CID46042678
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC NameN,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide
SMILESCCN(CC)C(=O)CCc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1OC
InChIInChI=1S/C24H28FN3O3/c1-5-27(6-2)23(29)16-15-20-17(3)26-28(19-13-11-18(25)12-14-19)24(20)31-22-10-8-7-9-21(22)30-4/h7-14H,5-6,15-16H2,1-4H3
InChIKeyGNSDNPHXGORFFI-UHFFFAOYSA-N
XLogP4.92
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042825
N-ethyl-3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-methylpropanamide
CID 46043116
3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042576
3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042659
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042703
N-[(2S)-butan-2-yl]-4-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 93135948
3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042730
2-chloro-N-[(4-fluorophenyl)methyl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069020
N-(2-methoxyethyl)-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]acetamide
CID 71956935
N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042766
3-[1-(4-fluorophenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-1-thiomorpholin-4-ylpropan-1-one
CID 46042848
N-benzyl-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069000

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide?
The IUPAC name of N,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide (CID 46042678) is N,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide.
What is the SMILES notation for N,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide?
The canonical SMILES for N,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide is CCN(CC)C(=O)CCc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1OC.
What is the InChIKey of N,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide?
The InChIKey is GNSDNPHXGORFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-5-27(6-2)23(29)16-15-20-17(3)26-28(19-13-11-18(25)12-14-19)24(20)31-22-10-8-7-9-21(22)30-4/h7-14H,5-6,15-16H2,1-4H3.
What are the key properties of N,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide?
N,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide has a molecular weight of 425.50 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide is sourced from PubChem (CID 46042678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).