N-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide

C20H21N3O2 — CID 86869517

IUPACN-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide
SMILESCc1cnn(CCC(=O)N(C)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C20H21N3O2/c1-16-14-21-23(15-16)13-12-20(24)22(2)17-8-10-19(11-9-17)25-18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3
InChIKeyZXUXWRRPCAZMIN-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.04
Rot. Bonds6

About N-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide

N-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide (PubChem CID 86869517) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide
PubChem CID86869517
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide
SMILESCc1cnn(CCC(=O)N(C)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C20H21N3O2/c1-16-14-21-23(15-16)13-12-20(24)22(2)17-8-10-19(11-9-17)25-18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3
InChIKeyZXUXWRRPCAZMIN-UHFFFAOYSA-N
XLogP4.04
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of N-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide (CID 86869517) is N-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for N-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for N-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide is Cc1cnn(CCC(=O)N(C)c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is ZXUXWRRPCAZMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-16-14-21-23(15-16)13-12-20(24)22(2)17-8-10-19(11-9-17)25-18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of N-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide?
N-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 86869517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).