N,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide

C25H31N3O2 — CID 42850660

IUPACN,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide
SMILESCCN(CC)C(=O)CCc1c(C)nn(-c2cccc(C)c2)c1Oc1ccc(C)cc1
InChIInChI=1S/C25H31N3O2/c1-6-27(7-2)24(29)16-15-23-20(5)26-28(21-10-8-9-19(4)17-21)25(23)30-22-13-11-18(3)12-14-22/h8-14,17H,6-7,15-16H2,1-5H3
InChIKeyAJLSBEMTBIWKAK-UHFFFAOYSA-N
MW405.54 g/mol
LogP5.39
Rot. Bonds8

About N,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide

N,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide (PubChem CID 42850660) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide
PubChem CID42850660
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide
SMILESCCN(CC)C(=O)CCc1c(C)nn(-c2cccc(C)c2)c1Oc1ccc(C)cc1
InChIInChI=1S/C25H31N3O2/c1-6-27(7-2)24(29)16-15-23-20(5)26-28(21-10-8-9-19(4)17-21)25(23)30-22-13-11-18(3)12-14-22/h8-14,17H,6-7,15-16H2,1-5H3
InChIKeyAJLSBEMTBIWKAK-UHFFFAOYSA-N
XLogP5.39
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042825
3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 46042969
3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
CID 42850633
3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 42850635
3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042730
3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 46042992
N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide
CID 46042982
N,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide
CID 46042678
3-[3-methyl-5-(2-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 42850672
N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 46043085
3-tert-butyl-1-(2-methoxyethyl)-1-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]urea
CID 51069388
[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol
CID 39096917

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide?
The IUPAC name of N,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide (CID 42850660) is N,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide?
The canonical SMILES for N,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide is CCN(CC)C(=O)CCc1c(C)nn(-c2cccc(C)c2)c1Oc1ccc(C)cc1.
What is the InChIKey of N,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide?
The InChIKey is AJLSBEMTBIWKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-6-27(7-2)24(29)16-15-23-20(5)26-28(21-10-8-9-19(4)17-21)25(23)30-22-13-11-18(3)12-14-22/h8-14,17H,6-7,15-16H2,1-5H3.
What are the key properties of N,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide?
N,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide has a molecular weight of 405.54 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 42850660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).