N-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide

C28H29N3O2 — CID 42850619

IUPACN-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide
SMILESCc1ccccc1Oc1c(CCC(=O)NCc2ccccc2)c(C)nn1-c1ccccc1C
InChIInChI=1S/C28H29N3O2/c1-20-11-7-9-15-25(20)31-28(33-26-16-10-8-12-21(26)2)24(22(3)30-31)17-18-27(32)29-19-23-13-5-4-6-14-23/h4-16H,17-19H2,1-3H3,(H,29,32)
InChIKeyLCALQMWCTCIQPF-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.84
Rot. Bonds8

About N-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide

N-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide (PubChem CID 42850619) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide
PubChem CID42850619
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC NameN-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide
SMILESCc1ccccc1Oc1c(CCC(=O)NCc2ccccc2)c(C)nn1-c1ccccc1C
InChIInChI=1S/C28H29N3O2/c1-20-11-7-9-15-25(20)31-28(33-26-16-10-8-12-21(26)2)24(22(3)30-31)17-18-27(32)29-19-23-13-5-4-6-14-23/h4-16H,17-19H2,1-3H3,(H,29,32)
InChIKeyLCALQMWCTCIQPF-UHFFFAOYSA-N
XLogP5.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042766
3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
CID 46042893
N-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide
CID 46042918
3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 46042924
3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42850574
3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide
CID 46042628
N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 46043085
N-[(4-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 40722802
N-(furan-2-ylmethyl)-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 42796779
3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 46042798
3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 46042992
N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide
CID 46042471

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide?
The IUPAC name of N-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide (CID 42850619) is N-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide is Cc1ccccc1Oc1c(CCC(=O)NCc2ccccc2)c(C)nn1-c1ccccc1C.
What is the InChIKey of N-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide?
The InChIKey is LCALQMWCTCIQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c1-20-11-7-9-15-25(20)31-28(33-26-16-10-8-12-21(26)2)24(22(3)30-31)17-18-27(32)29-19-23-13-5-4-6-14-23/h4-16H,17-19H2,1-3H3,(H,29,32).
What are the key properties of N-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide?
N-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide has a molecular weight of 439.56 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 42850619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).